The Ultra-Scale Playbook: Training LLMs on GPU Clusters

FineWeb

Fueled by the scaling laws, the trend of training ever larger language models on vaster amounts of data has been driving progress in AI for the past couple years. Initially, the development of the largest models happened exclusively behind closed doors of a handful of research labs but recently opened up more with the release of models such as Llama 3.1 405B and DeepSeek R1. While these models have openly shared weights and their training recipes are described in technical reports, the challenging engineering to involved to train at the necessary infrastructure scale is still hidden between the lines of a handful of papers and complex training frameworks. This long blog post open-source book is here to open this black box!

In this book we invite you to follow us in the wonderful world of scaling training of Large Language Models to tens, hundreds, thousands of GPUs. It assumes you know the basics on LLM architecture and training, but are new to distributed training. This writing can be seen as a second part of a trilogy following our first blog on processing data for pre-training, the so-called “FineWeb blog post”. Having read both blog posts, you should have almost all the core knowledge needed to deeply understand how LLMs are being built nowadays, just missing a bit the final spices like data mixing or architecture choices to complete the recipe (stay tuned…).

Pre-training LLMs from scratch now requires amounts of compute which exceed in almost every case the use of a single GPU or machine. The clusters used to train these models range from hundreds to thousands of nodes each usually equipped with 4 to 8 GPUs. To make the best use of such an expensive hardware as well as to train in a reasonable time, a range of distributed training methods have been developed with the goal of ensuring that GPUs are highly utilized at all times. Efficiently scaling LLM training is also not confined to pretraining anymore, as fine-tuning larger models on more domain specific data is becoming the standard practice to achieve the best results.

In this post we’ll cover these scaling methods exhaustively while keeping a single story-line to understand where each technique comes from. We’ll cover data, tensor, pipeline and context parallelism as well as ZeRO and kernel fusion. The post is built on the following three foundations:

Quick intros on theory and concepts: before diving into code and experiments, we want to understand how each method works at a high level and what it’s advantages and limits are. You’ll learn about which parts of a language model eat away your memory and when during training it happens. You’ll learn how we can solve memory constraints by parallelizing the models and increase the throughput by scaling up GPUs. As a result you'll understand how the following widget to compute the memory breakdown of a transformer model works:

While this widget gives a theoretical breakdown the following tool can be used to predict the memory usage:

image.png

Clear code implementations: theory is one thing, but we discover all kinds of edge cases and important details when we implement something. That’s why we link to implementation references where possible. Depending on the case, we’ll use two code references: the picotron repository is built for education, thus it implements concepts usually in single, self-contained short files. On the other hand, to look at production ready code, we’ll refer to the nanotron implementations which is a production training codebase used at Hugging Face.

Picotron implements each key concept in a self-contained way, such that the method can be studied separately and in isolation.

Real training efficiency benchmarks: Finally, how to actually scale your LLM training depends on your infrastructure, such as the kind of chips, interconnect etc., and we can’t give a single unified recipe. What we will give though is a way to benchmark several setups and it is what we have done on our cluster! We ran over 4100 distributed experiments with up to 512 GPUs to scan many possible distributed training layouts and model sizes. TODO: link to dataset too

As you can see, there’s a lot of ground to be covered. Before getting into the trenches of distributed training let’s take a quick high level look on we’ll cover in the post.

TL;DR

This book is very extensive so we decide to start with a very general overview of how you can think about distributed training. At a high level, the key challenge in scaling LLM training is to make a training step (forward/backward/optimizer step) with a large batch size the fastest possible.

When scaling up models and input batches, we quickly end up in situations where either our target batch size won't fit in memory, or/and the model itself is too large to fit in a single GPU's memory.

To solve this scaling issue we’ll need to carefully evaluate different parallelization strategies and find the optimal balance between three main factors:

  1. Memory Usage
    • Hard limitation - if a training step doesn't fit in memory, training cannot proceed
    • Sometimes we can increase compute (e.g. recomputation) or increase communication (e.g. ZeRO) to reduce memory usage
  2. Compute Efficiency
    • Memory transfer can also decrease compute efficiency.
    • We want our hardware to spend most time computing, so we need to reduce time spent on data transfers or unoptimized kernels.
    • GPUs need sufficient workload (large enough matrices/batch sizes) to maintain high utilization (compute-bound) otherwise they become memory-bound (limited by memory bandwidth).
  3. Communication overhead
    • Two main types. For GPUs: intra-node (NVLink TODO: bandwidth) and inter-node (network TODO: bandwidth)
    • Two main attributes: base latency and peak bandwidth. Base latency is a constant overhead that makes us want to do the least number of comms possible, and peak bandwidth controls the how fast we can move data between gpus
    • We prioritize using the fastest communication channels (like NVLink) for operations that occur frequently and/or block computation (e.g. tensor parallelism)
    • We want to minimize communication overhead as it keeps GPUs idle, so we try to overlap communication with compute as much as possible

But let’s not get too much ahead of our self and scale progressively. To guide you along the journey and as a practical reference we summarized the key concepts in a cheatsheet:

[TODO: ADD CHEATSHEET]

Now that we nailed a few key concept and terms let’s get started by revisiting the basic training steps of an LLM!

First Steps: Training on one GPU

Let’s start by quickly reviewing the very basics of model training before we start to scale to many GPUs. When a model is trained on a single GPU, the training typically consists of three steps:

  1. a forward pass which passes inputs through the model to yield its outputs,
  2. a backward pass to compute the gradients, and
  3. an optimization step using the gradients to update the parameters

It looks generally like this:

Hover over the network elements to see their details

In this figure, the boxes on the top line can be seen as successive layers inside a model (same for the last line). The red boxes are the associated gradients for each of these layers, computed during the backward pass.

The batch size (bs) is one of the important hyper-parameters for model training and affects both model convergence and throughput.

If the batch size is too small, gradients will tend to be noisy and the model may not be able to converge to the most optimal performance, on the contrary it can be useful in early training to navigate quickly in the training landscape. On the other hand, a batch size too large will make less use of each training token rendering convergence slower and wasting compute. You can find a nice discussion of this topic in OpenAI’s paper on large batch training or Section 4.2 of MiniMax-01 technical report.

Batch size also affects the time it takes to train on a given text dataset: a small batch size will require more optimizer steps to train on the same amount of samples. Optimizer steps are costly (in compute time) and the total time to train will thus increase compared to a larger batch size. This being said, note that the batch size can often be adjusted quite largely around the optimal batch size without major impact to the performance of the model, i.e. the sensitivity of final model performances to the exact batch size value is usually rather low around the optimal batch size.

In the LLM pretraining community, batch sizes are commonly reported in terms of tokens rather than in number of samples (bst = Batch Size Tokens), this makes training numbers generally independent of the exact input sequence length used during the training.

In the simplest case, training on a single machine, the bs (in samples) and bst can be computed from the model input sequence length (seq) as follows :

bst=bs *seq

From here onward we’ll show the formulas for the batch size in terms of samples but you can always get its token-unit counterpart by multiplying it with the sequence length.

A sweet spot for recent LLM training is typically on the order of 4-60 million tokens per batch. However, a typical issue when scaling the training of our model to these large batch sizes is out-of-memory issues, ie. our GPU doesn’t have enough memory.

It’s time to tackle our first scaling problem: what if our model starts exploding GPU memory before we’ve reached our target batch size (maybe in some case even when using the lowest possible batch size, bs=1)?

Let’s start by quickly understanding what led to our out-of-memory issue in the first place. This will help us gain some useful intuitions for later.

Memory usage in Transformers

When training a neural network model, one store several items in memory:

📝 Note

You would think for a model you could compute the memory requirements exactly but there are a few additional memory occupants that makes it hard to be exact:

We’ll neglect these last two contributors as they are typically small and constant factors.

These items are stored as tensors which come in different shapes and precisions. The shapes are determined by hyper-parameters such as batch size, sequence length, model hidden dimensions, attention heads, vocabulary size, and potential model sharding as we’ll see later. Precision refers to formats like FP32, BF16, or FP8, which respectively require 4, 2, or 1 byte to store each single value in the tensor.

So how can I quickly determine memory usage from these variable? One simple way is to do this empirically and just measure it.

Memory profiling a training step

Using this snippet [TODO: link to appendix A5], we can understand how memory is allocated throughout training. We can see that memory utilization is not a static thing but varies a lot during training and during a training step:

Clearly the first step looks very different from the subsequent ones, but let’s first have a look at the general anatomy of a step: first the activations increase quickly as we do the forward pass, then during the backward pass the gradients build up and as the backward pass propagates, the stored activations used to compute the gradients are progressively cleared. Finally, we perform the optimization step during which we need all the gradients and then update the optimizer states before we start the next forward pass.

Why does the first step looks different: the activations increase quickly and then plateau for a while. In this first step the torch cache allocator does a lot of preparation preparing memory allocations to speed up the subsequent steps so that they don’t require searching for free memory blocks afterwards (see Zach’s blog). After the first step we also see the optimizer states appearing which generally offset the memory usage for further training steps.

Now that we’ve a first view of memory, let’s see how scaling up training is often a question of maximizing compute efficiency while keeping the memory requirements of these various items (activations, parameters, gradients, optimizer states) within the memory constraints of the GPUs.

Weights/grads/optimizer states memory

We can actually pretty easily estimate the memory needed for the model’s weights, gradients and optimizer states.

For a simple transformer LLM the number of parameters is given by the following formula:

N = h * v + L * (12 * h^2 + 13 * h) + 2*h

In that equation, h is the hidden dimension, v the vocabulary size, and L the number of layers in the model. Note that looking at the equation we can see that the term that will dominate at large hidden dimensions is the h^2 term since it’s the only one growing quadratically as we scale the parameters.

Memory requirements for the parameters and gradients are simply the number of parameters multiplied by the number of bytes per parameter. In good old-fashioned full precision (FP32) training both parameters and gradients require 4 bytes while the optimizer, if we use Adam, requires the momentum and variance to be stored, which adds another two 4 bytes per parameter. In summary:

\begin{aligned} & m_{params} = 4 * N \\ & m_{grad} = 4 * N \\ & m_{opt} = (4+4) * N \end{aligned}

Now let’s have look how things change if we train with mixed precision. The default nowadays is for mixed precision training is BF16, requires 2 bytes per parameter and gradient as well as an additional copy of the model weights and gradients in FP32, thus 12 bytes per parameter in total. In addition to the parameters and gradient, we need to store the optimizer states: for the Adam optimizer, this requires the momentum and the variance usually stored in FP32 for numerical stability, each using 4 bytes.

Here’s the summary:

\begin{aligned} & m_{params} = 2 * N \\ & m_{grad} = 2 * N \\ & m_{params\_fp32} = 4 * N \\ & m_{opt} = (4+4) * N \end{aligned}

📝 Note

Some libraries store grads in fp32 which would require an additional m_{params\_fp32} = 4 * N memory. This is done for example in nanotron, because bf16 is lossy for smaller values and we always prioritize stability. See this DeepSpeed issue for more information.

Interestingly, mixed precision itself doesn’t save overall memory as it just distributes the memory differently across the three components, and in fact adds another 4 bytes over full precision training if we accumulate gradients in FP32. It’s still advantageous as having the model which does the forward/backward in half precision it allows us to (1) use optimized lower precision operations on the GPU which are faster and (2) reduces the activation memory requirements during the forward pass.

Let’s get a sense of how much general memory we need for a model (full and mixed precision giving the same overall value):

Model parameters FP32 or BF16 w/o FP32 grad acc BF16 w/ FP32 grad acc
1B 16 GB 20 GB
7B 112 GB 140 GB
70B 1120 GB 1400 GB
405B 6480 GB 8100 GB

As we can see, as soon as we reach 7B (!), weights and optimizer requirements already starts to add up significantly and exceed the size of a typical GPU memory, e.g. 80GB for a H100 GPU.

But for now, let’s start with models which still fits in a single GPU, take a look at the other big contributor to our memory budget: the activation memory.

Activations memory

Activation memory is a bit more complex to compute than the weights, gradients and optimizer states, in part because it depends on the inputs of the model. If you’re unsure why we even need to store activations for the backward pass, this reference is a good quick refresh. After a careful inspection of how backward pass is computed we can estimate the total memory required for the activations in mixed precision and we arrive at the following equation:

m_{act} = L seq * bs * h * (34 + \frac{5n_{heads}*seq}{h})

Here L is the number of layers, seq the sequence length, bs the batch size in samples, h the hidden dimension of the model and n_{heads} the number of heads.

For the exact derivation of the numbers, you can follow this original NVIDIA paper on recomputation , it essentially requires you to do some accounting of all the sizes of intermediate activations between each operation in a transformer layer.

An interesting observation here is how the memory is not static for a given model but it scales linearly with both the sequence length and batch size. This means the activation memory is the part which will blow up when we increase our batch size or train with longer sequences. We can use this equation to look at how memory usage changes for various sequence lengths for example for Llama models (bs=1):

This graph tells a striking story: for short sequences (or similar for small batch-sizes), activations are almost negligible, but starting at around 2-4k tokens they come to take a significant amount of memory while parameter, gradient and optimizer states usage (that we’ll discuss later) stays roughly independent of the sequence length and batch size.

For large input tokens (a.k.a large batch-sizes/sequences), activations become by far the largest memory burden.

Is there a way to tame this “activation explosion”? Good question, reader!

It’s time to explain our first technique – called activation recomputation which will help us cap activation memory footprint. An essential tool in today’s large model training toolbox.

Activation recomputation

The general idea behind activation recomputation – also called gradient checkpointing or rematerialization – is to discard some activations during the forward pass to save memory and spend some extra compute to recompute these on the fly during the backward pass. Without recomputation, we store every hidden state between two learnable operations (e.g. FF, LayerNorm etc.), such that we can use them during the backward pass to compute gradients. When we use recomputation we typically will only store activations at a few key points along the model architecture, discard the rest of activations and recompute them on the fly during the backward pass from the nearest saved activations, basically performing again a sub-part of the forward pass to trade of memory for compute. It generally looks like this:

Hover over the network elements to see their details

There are several strategies to select key activations to store:

Let’s see how drastically recomputation strategies can in practice reduce the memory footprint and how selective recomputation strikes a nice balance between memory saving and recomputation cost:

Another trend that's clearly visibile here is how the activations for long sequences play a bigger role for smaller models, so the effect of recomputation becomes even more noticeable.

📝 Note

When you’re measuring how efficient your training setup is at using the accelerator’s available compute, you may want to take recomputation into account when measuring the total FLOPS (Floating point operations per second) of your training setup and comparing it to theoretical maximum FLOPS of your GPU/TPU/accelerator to estimate GPU utilization. Taking recomputation into account when calculating FLOPS for a training step gives a value called “hardware FLOPS” which is the real number of operations performed on the accelerator. Dividing this number by the duration of one training step and the maximum accelerator FLOPS yields the Hardware FLOPS Utilization (HFU).

However, when comparing various accelerators together, what really matters at the end of the day is the start-to-end time needed to train the same models on the same dataset, ie. if an accelerator allows to skip recomputation and thus perform less operation per second for a faster training it should be rewarded. Thus, alternative is to compute what is called Model FLOPS Utilization (MFU), which in contrast to HFU only accounts for the required operations to compute the forward+backward passes, and not recomputation, ie. is specific to the model, not the training implementation.

Most training frameworks these days use FlashAttention (which we’ll cover a bit later) which integrate natively activation recomputation in its optimization strategy by recomputing attention scores and matrices in the backward pass instead of storing them. Thus most people using Flash Attention are already making use of selective recomputation.

As you’ve now understood, activation recomputation increases the number of FLOPs slightly due to recomputation, while it significantly reduces memory access overhead.

This trade-off is particularly advantageous on hardware with small high-speed memory, like GPUs, as accessing memory is typically slower than performing computations. Despite the additional operations involves, the overall effect is thus often faster computation as well, in addition to the much lower memory footprint.

Now that we’ve learned about recomputation, we can tame the activations memory usage as we saw in the above graphs!

However, activations still bears a linear dependance on the batch size and all our profiles in the barplots above were using bs=1 so as we move to larger batch sizes it might become an issue again. Do not despair as we have a second tool in our box - gradient accumulation to the rescue!

Gradient accumulation

Now that we’ve used activation recomputation to fit our model with a small batch size on a single GPU, we still need to reach our target batch size, let’s say 1M tokens (see our earlier discussion on optimal batch size). Gradient accumulation is a very straightforward method to avoid memory explosion when doing this.

With gradient accumulation we split our batch into micro-batches, do forward and backward passes repeatedly on each micro-batch, compute the gradients, and, as the name suggests, sum the gradients for each micro-batch before doing a final optimizer step. In practice, we perform the optimization step not on the sum but on the average of the gradients, so the result is independent of the number of gradient accumulation steps.

Let’s call the batch size for each forward pass the micro batch size (mbs). We’ll refer to the overall batch size between each optimizer step as the global batch size (gbs). If we do one optimizer step for each 8 forward/backward passes, the global batch size will be 8 times the micro batch size.

What we now call global batch size thus corresponds to what we’ve called up to now just batch size for simplicity (we now make our terms more precise to avoid ambiguity).

With gradient accumulation the global batch size can be simply computed as follows:

bs = gbs = mbs \times grad\_acc

Gradient accumulation allows us to effectively increase our batch size up to infinity (and beyond!) while the memory footprint stays constant. Gradient accumulation is also compatible with activation recomputation for further memory reduction. One drawback however, is that gradient accumulation requires multiple consecutive forward/backward passes per optimization step thereby increasing the compute overhead and slowing down training. No free lunch!

image.png

Gradient accumulation allows us to reduce memory of activations which grow linearly with batch size by computing only only partial, micro-batches. There is a small overhead caused by the additional forward and backward passes.

But if you’ve carefully followed, you probably noticed that the forward/backward passes for each micro-batch can actually be run in parallel. Forward/backward passes are independent from each other, with independent input samples being the only difference. Seems like it’s time to start extending our training to more than one GPU!

Let’s get a larger workstation 🖥️ with a couple of GPUs and start investigating our first scaling technique called data parallelism which is just a parallel version of gradient accumulation.

TODO: add profiling here or not?

Data Parallelism

The idea behind data parallelism (DP) is to replicate the model on several GPUs (we call the replica's “model instances”) and run forward and backward passes on different micro batches of data in parallel for each GPU, hence the name Data Parallelism.

Using a different micro batch for each GPU means we’ll have different gradients in each GPU, so to keep the model instances in sync across different GPUs, the gradients from the model instances are averaged using an operation called “all-reduce”, which happens during the backward pass, before the optimizer step.

image.png

This involves our first “distributed communication” primitive: all-reduce which handles the synchronization and communication between GPU instances and nodes.

image.png

A naive DP implementation would just wait for the backward pass the finish so that we have all gradients, then it triggers an all-reduce over all DP ranks, to sync these gradients. But such an sequential steps of computation followed by communication is A BIG NO! Because we don’t want our GPUs to stay idle while communication is happening.

Instead we should try to overlap communication and computation whenever possible so that they happen at the same time as much as possible.

Let’s see three optimizations that are done in practice for this!

First optimization: Overlap gradient synchronization with backward pass

The main drawback of the naive DDP approach we’ve just described is that after the backward pass (computation), we have to wait for gradient synchronization (communication) before updating the parameters. Could we overlap this communication with our computation? The answer is yes!

As shown in the figure above, the gradients (red boxes) for a layer can be gathered and summed even before the gradients from earlier layers (red boxes to the left) have been computed. For example, as soon as the backward pass of the last layer is complete (last box on the right), those gradients can already be gathered and summed while the backward computations continue for earlier layers, moving toward the left.

This can be achieved in pytorch by attaching an all-reduce hook function to each parameter. An all-reduce operation is triggered as soon as the gradient for that parameter is ready, while gradients for other parameters are still being computed. This approach overlaps most of the all-reduce operations with gradient calculations, thereby improving efficiency. Here's a simple function to attach a hook:

def register_backward_hook(self, hook): """ Registers a backward hook for all parameters of the model that require gradients. """ for p in self.module.parameters(): if p.requires_grad is True: p.register_post_accumulate_grad_hook(hook)

image.png

Overlapping computation and communication reduces the time spent waiting for gradient synchronization across the entire model. Gradient synchronization can occur (at least partially) in parallel with backward pass, significantly speeding up data parallelism. Here's a full implementation of naive DP with synchronization overlap:

👉 Naive DP implementation with overlap in Picotron (Click to expand)

This is our first example of “overlapping computation and communication” which we will discuss several times in this blog post and is an essential technique to maximal scaling efficiency. Let's have a look how we can further improve the DP efficiency!

Second optimization: Bucketing gradients

We can even go further with optimizing DP. For a given number of parameters to synchronize, GPU operations like collective communications are often more efficient when performing few calls on large tensors rather than many calls on smaller tensors. Therefore, instead of performing independent all-reduce for each gradient, we can group gradients into buckets and launch a single all-reduce for all the gradients within the same bucket. Think of it like packing items into boxes before shipping—it's more efficient to send a few big boxes than many small ones. By performing a single all-reduce operation for each bucket, we can significantly reduce communication overhead and speed up the communication operation.

Here's the code implementation with bucketing:

👉 Bucket DP implementation in Picotron (Click to expand)

dp_overlap3.svg

Third optimization: Interplay with gradient accumulation

As we’ve seen before, gradient accumulation works by performing multiple forward and backward passes before updating the parameters with optimizer.step(). When combining gradient accumulation with data parallelism, we should be careful when we want to synchronize gradients.

In a naive version, an all-reduce operation is automatically triggered after each backward pass during the accumulation, which is sub-optimal as a single reduce after the final step would have the same effect while reducing overhead.

In PyTorch, this is typically solved by adding a model.no_sync() decorator, which disables gradient synchronization, on the backward passes which don’t need reduction.

📝 Note

When performing communication operations, tensors must be contiguous in memory. To avoid redundant memory copies during communication, ensure that tensors that will be communicated are stored contiguously in memory. Sometimes we need to allocate additional continuous buffers of the size of activations or model parameters specifically for communication, which contributes to the peak memory usage during training.

Now that we combined both DP and gradient accumulation let's have a look what that means for the global batch size.

Revisit global batch size

Let’s update our batch size equation with our newly learned Data Parallelism and Gradient Accumulation parameters:

bs = gbs = mbs \times grad\_acc

Where grad\_acc is the number of gradient accumulation steps and DP is the number of parallel instances used for data parallelism.

Given a targeted global batch size, we can thus trade gradient accumulation steps for data-parallel processes to speed up training. In practice, people tend to maximize the number of data-parallel nodes (DP) over gradient accumulation as much as possible since it's inherently parallel, unlike the sequential nature of gradient accumulation. Gradient accumulation is then added on top of data parallelism to achieve the target global batch size when scaling data parallelism alone is not sufficient before you run out of GPUs.

Being able to distribute the training over different samples gives us a first dimension of parallelization, thus making this 1D parallelism (we’ll progressively cover 4 more dimensions).

Our journey up to now

Let’s quickly summarize what we’ve seen up to now and how to setup our first 1D parallel training with a draft recipe for an optimal data-parallel setup:

  1. We should first determine the best (global) batch size in tokens (GBST) either by consulting literature or running experiments measuring model convergence.
  2. We then select a sequence length for training, again by either consulting literature or running experiments. Generally, 2-8k tokens work reliably well for the evaluations we have today (we won’t dive in training recipes here but teams usually increase the sequence at the end of the training, adding some longer-context data samples in the mix to reach the longer context size of today).
  3. We now know the batch size (gbs). We can find the maximum local batch size (mbs) on a single GPU by increasing the local batch size until we run out of memory.
  4. Finally, we determine the number of available GPUs for our target DP. The ratio of GBS to DP gives us the remaining number of gradient accumulation steps needed for the desired GBS.

If the gradient accumulation ratio is lower than one, i.e. we have too many GPUs a.k.a GPU-rich 🤑 (!), we can either choose to not use all our GPUs, explore a larger global batch size or test if a lower MBS will speed up training. In the latter case we’ll end up prioritizing throughput over individual GPU compute efficiency, using a smaller MBS than possible in order to speed up training.

Time to take a concrete example: Let’s say we want to train a recent model with a GBS of 4M tokens and a sequence length of 4k. This means our batch size will be 1024 samples (we pick powers of two). We observe that a single GPU can only fit MBS=2 in memory and we have 128 GPUs available for training. This means with 4 gradient accumulation steps we’ll achieve our goal of 1024 samples or 4M tokens per training step. Now what if we suddenly have 512 GPUs available? We can achieve the same GBS and thus identical training by keeping MBS=2 and setting gradient accumulation steps to 1 and achieve faster training!

📝 Note

Bear in mind that at the 512+ GPUs scale, depending on the network used, the communication operations will start to be bound by ring latency (time required for a signal to propagate once around the ring) which means we can no longer fully overlap the DP communications. This will decrease our compute efficiency and hit our throughput. In this case we should start exploring other dimensions to parallelize on.

While data parallelism cleverly overlaps the all-reduce gradient synchronization with backward computation to save time, this benefit starts to break down at large scales. As we add more and more GPUs (hundreds or thousands), the overhead of coordinating between them grows significantly. The end result? We get less and less efficient returns from each additional GPU we add to the system:

As expected, we can also see that the memory usage per GPU is not affected by adding more DP ranks for training.

We’ve explored data parallelism, our first (simple) strategy to scale training across more GPUs. It works like gradient accumulation but parallelizes the forward and backward passes on micro batches, thus increasing throughput!

The keen reader has already probably noted however that this assumes that we can fit at least one input sample forward pass (mbs=1) into our GPU memory. This is not always the case! As we can see, larger models don’t fit into a single GPU, even with activation recomputation activated:

Do we have other options for these larger models? We do have some solutions thankfully. They will involve either move some of these tensors to the CPU or split the weights/gradients/optimizer-states tensors across GPUs devices!

There are two main approaches to splitting: parallelism (tensor, context, or pipeline parallelism) and sharing (DeepSpeed Zero or PyTorch FSDP). Both approaches are somewhat orthogonal and can actually be combined! The sharing paradigm is closely related to DP so we’ll have a look at it first by investigating the ZeRO method!

ZeRO (Zero Redundancy Optimizer)

In this section we will introduce DeepSpeed ZeRO (Zero Redundancy Optimizer), a memory optimization technology designed to reduce memory redundancies in LLM training.

While Data Parallelism is very efficient in scaling training, the naive replication of optimizer states, gradients, and parameters across each DP rank introduces a significant memory redundancy. ZeRO eliminates memory redundancy by partitioning the optimizer states, gradients, and parameters across the data parallel dimension, while still allowing computation with the full set of parameters. This sometimes requires more communications between DP ranks which may or may not be fully overlapped as we’ll see next!

This approach is organized into three possible optimization stage of ZeRO:

You might be missing the activations among the things we can shard. Since each DP replica of the model receives a different micro-batch the activations on each DP rank also differ so they are not duplicated and thus can’t be sharded!

Let’s have a closer look how much we can save with the partitioning of each ZeRO stage!

Memory usage revisited

Let’s first recap the memory usage of optimizer states, gradients, and parameters during a standard training. Let’s define the number of our model's parameters as \Psi (previously N but here we use the original ZeRO notation). In mixed-precision training with the Adam optimizer, the memory usage for each item we need to store is:

If we don’t accumulate gradients in fp32 this gives us a total memory consumption of 2\Psi + 2\Psi + 12\Psi, and if we accumulate it would be 2\Psi + 6\Psi + 12\Psi. Let’s focus for now on the case without fp32 gradient accumulation for simplicity but you can just add the additional bytes to the gradient term which are affected by ZeRO-2 and 3.

The idea of ZeRO is to shard these objects across the DP ranks, each node only storing a slice of the items which are reconstructed when and if needed, thereby dividing memory usage by the data parallel degree N_d:

zero_memory.svg

Memory consumption of DP and three stages of Zero-DP. \Psi denotes number of parameters, k denotes the memory multiplier of optimizer states (k=12 for Adam), and N_d denotes DP degree.

Let’s explain this graph and it’s values by exploring how each ZeRO stage works. We’ll start with ZeRO-1.

ZeRO-1: Partitioning Optimizer States

In vanilla DP, all ranks gather the same gradients after the backward pass and simultaneously perform identical optimizer steps. This seems like a lot of duplicated work. Can we avoid it and reduce memory usage at the same time?

In ZeRO-1, the optimizer states are partitioned into N_d equal parts where N_d is the DP degree. This means that each model replica that’s distributed on each DP rank only keeps track of \frac{1}{N_d} of the optimizer states. During the optimization step only \frac{1}{N_d} of the float32 weights are updated, which we cast to get the corresponding \frac{1}{N_d} portion of the bfloat16 parameters.

However for the forward pass, we need all our bfloat16 parameters, we thus need to add an additional all-gather (the second type of collective communication primitive we encounter!) after the optimizer step so that each model replica has the full set of updated weights.

This explains the memory formula of 2\Psi + 2\Psi + \frac{k\Psi}{N_d} that we saw on the above graph! Here’s a summary of the sequence of operations for a single training step

See the figure below for all the necessary steps in one forward/backward pass cycle:

dp_zero1.gif

So in practice, compared to vanilla DP, Zero-1 adds an all-gather over all parameters after the optimizer step as we can see below:

dp_zero1_overlap.svg

If you've been following along, you'll recall from vanilla DP that we can overlap the all-reduce gradient communication with the backward pass computation. In ZeRO-1, we can also investigate how to efficiently overlap the newly added all-gather of bf16 parameters. There are two main strategies for this:

📝 Note

Unfortunately these techniques are not straightforward to implement and require sophisticated use of hooks/bucketing. In practice we can just use ZeRO-3/FSDP implementation where the FSDPUnit is the entire model, more details about this later.

In ZeRO-1 the optimizer states have been partitioned, which means that each replica only updates \frac{1}{N_d} of the optimizer states. The keen reader must have noticed that there is no real need to have all gradients on all DP ranks in the first place since only a subset is needed for the optimization step. Meet ZeRO-2!

ZeRO-2: Adding Gradient Partitioning

The idea of ZeRO to is to not only shard the optimizer states but also the gradients. We actually only need the gradient shard corresponding to the optimizer state shard, so it makes sense to shard both the same way. [TODO: update] During the backward pass, instead of performing an all-reduce over the gradients, we only perform a reduce-scatter operation! Where we only spread the \frac{1}{N_d} gradients needed in memory, thus saving more memory compared to ZeRO-1.

dp_zero2.gif

It’s easy to see now that sharding the gradients leads to to 2\Psi + \frac{2\Psi+k\Psi}{N_d} and as N_d is increased we can save up to 8x memory over the baseline. In terms of communication the same process applies as for ZeRO-1, with the only difference that we communicate and release on the fly. In total, ZeRO-2 is thus also equivalent to vanilla DP training w.r.t. communication.

In terms of communication ZeRO-2 is similar to ZeRO-1, they both require a reduce-scatter for the gradients, and an all-gather over all parameters.

dp_zero2_overlap.svg

Now that we’ve sharded gradients as well, are we done or can we keep getting away with this? Well, sort of. We would like to reduce the memory of the parameters as well, and we’ve seen that we don’t need to wait for the entire all-gather to start the forward, we can already start the forward once we get the first layer.. here comes ZeRO-3!

ZeRO-3: Adding Parameter Partitioning

For Stage 3 we extend the above approach of sharding optimizer states and gradients over DP replicas up to sharding the model’s parameters.

📝 Note

This stage is also called FSDP (Fully Shared Data Parallelism) in PyTorch native implementation. We’ll just refer to ZeRO-3 in this blogpost but you can think of FSDP wherever you see it.

So how do we do a forward or backward pass in practice if all parts of the model are distributed? Quite simply we gather them on-demand when we need them. In the forward pass this looks as follows:

dp_zero3_fwd.svg

So as we perform the forward pass and sequentially go through the layers we retrieve the necessary parameters on demand and immediately flush them from memory when we don't need them anymore. The backward pass works the same way just inverted in flow and we produce the gradient shards:

dp_zero3_bwd.svg

The other issue is that we need to do these all-gathers continuously throughout the forward and backward step, which amounts to 2\cdot \text{num\_layers} -1 additional all-gathers in a training step compared to Zero-2, each comes with a small base latency overhead as we can see in the following figure:

dp_zero3_overlap.svg

During the forward pass we do all-gather operations for the parameters when we need them, so a \Psi communication tax. Since we discard the parameters immediately after we needed them in the forward pass we need one more all-gather during the backward pass as well incurring another \Psi in communication tax. Finally we need the same reduce-scatter as in ZeRO-2 for the gradients which costs also \Psi in communication and we arrive at a total communication cost of 3\Psi, compared to 2\Psi for Zero-2.

Thankfully, although we added many more communication operations, prefetching helps us overlap them efficiently by all-gathering weights for *Layer n+1* while we do the current forward for Layer n in the forward, and similarly, by all-gathering weights for Layer n-1 while doing the backward for Layer n. Of course this overlap only holds true as long as we don’t scale DP too much. (as a rule of thumb DP shouldn’t exceed 512)

In terms of memory we can see that our equation now reached it’s final form of \frac{2\Psi +2\Psi+k\Psi}{N_d} which means we can drive memory usage down indefinitely if we can increase the DP rank, at least for the model related parameters. Notice how it doesn’t help with the intermediate activations, for that we can use activation checkpointing and gradient accumulation as we’ve seen in earlier chapters.

Let’s summarize our journey into DP and ZeRO so far: we have seen that we can increase throughput of training significantly with DP, simply scaling training by adding more model replicas. With ZeRO we can train even models that would ordinarily not fit into a single GPU by sharding the parameters, gradients and optimizers states across DP, while incurring a small communications cost.

However, there is a limit here, DP only works if a layer of the model fits in a single GPU and ZeRO can only partition the parameters, gradients, and optimizer states, but not the activation memory! Recall from the activation memory discussion that it scales with sequence length and batch size. Naturally we could just limit those, but in practice we don’t want to be limited by hardware to train with only with a short sequence length.

Now that we've efficiently used the DP axis to reduce memory through efficient communication patterns, let's explore a new, orthogonal axis of parallelism - Tensor Parallelism. Unlike ZeRO3 that relies on heavy parameter communication, TP manages to shard parameters, gradients, optimizer states AND activations across devices without requiring any model parameter movement between GPUs. What! How is this even possible?! Let's explore this seemingly magical approach together! 🙂

Tensor Parallelism

So we have sharded the model’s parameters, gradients and optimizers states with ZeRO but we hit a limit once activation memory overtakes our memory budget. Welcome Tensor Parallelism (TP), a method which shards weights, gradients, and optimizers states as well as activations and without the need to gather them all prior to the computation. Seems like a dream! Let’s first have a look at how Tensor Parallel works with simple matrix multiplications.

Tensor Parallelism leverages the mathematical properties of matrix multiplication A \times B. To understand how it works, let's examine two fundamental equations that make this parallelization possible:

\begin{aligned} &\text{1.} \quad A\cdot B = A \cdot \begin{bmatrix} B_1 & B_2 & \cdots \end{bmatrix} = \begin{bmatrix} AB_1 & AB_2 & \cdots \end{bmatrix} \\ &\text{2.} \quad A\cdot B =\begin{bmatrix} A_1 & A_2 & \cdots \end{bmatrix} \begin{bmatrix} B_1 \\ B_2 \\ \vdots \end{bmatrix} = \sum_{i=1}^n A_i B_i \end{aligned}

This means that we can compute matrix product by either 1) multiplying each column of B individually or 2) multiplying each row individually and combining the results. In a neural network, the matrix multiplication is more often represented in the following format: X \times W, where:

In practice a small example of the operation looks like this:

image.png

Let’s see how we can parallelise this operation! In tensor parallelism, tensors will be split into N shards along a particular dimension and distributed across N GPUs. Matrices can be split either on the column part or row part leading to row and column parallelism. One thing we’ll see in the following is that choosing row or column sharding will require different communications primitives.

Our first option is to use column-wise sharding (also called column-linear): We'll copy the complete input matrices to each worker, requiring an operation called broadcast, and split the weight matrix into columns. The inputs are then multiplied with the partial weight matrices, and the results are finally combined using an all-gather operation.

image.png

Here's the code implementation of column wise tensor parallelism:

👉 Column parallel TP implementation in Picotron (Click to expand)

The second option is called row-wise sharding (also called row-linear): As the attentive reader might guess, row-linear means that we split the weight matrix into chunks of rows. However, this also requires us to split the inputs, which needs a scatter operation rather than a broadcast as used in column-linear sharding. The results on each worker are already in the right shape but need to be summed for the final result, thus requiring an all-reduce operation in this scenario.

We see here our fourth distributed primitive: scatter!

image.png

Here's the implementation for row-wise tensor parallelism:

👉 Row parallel TP implementation in Picotron (Click to expand)

Now that we have the basic building blocks of TP, let's have a look at how we can effectively combine them inside a transformer layer!

Tensor Parallelism in a Transformer Block

To come up with a strategy to follow, let’s move from a toy example to a real model building block. A Transformer model is made of two main building blocks : Feedforward layers (MLP) and Multi-Head Attention (MHA). We can apply tensor parallelism to both.

The Feedforward part can be parallelized by having a “Column linear” followed by a “Row Linear” which amounts to a broadcast to copy the input and an all-reduce in forward. Note that the broadcast isn’t needed in actual training where we can make sure inputs are already synced across TP ranks.

image.png

Now that we’ve found the most efficient schema for the Feedforward part of the transformer, let’s take a look at the multi-head attention block (MHA).

We can generally follow a similar approach where Q, K, and V matrices are split in a column-parallel fashion, and the output projection is split along the row dimension. With multi-head attention, the column-parallel approach has a very natural interpretation: each worker computes the attention for an individual or a subset of heads. The same approach works as well for multi-query (MQA) or grouped query attention (GQA) where key and values are shared between queries.

It's also worth noting that the tensor parallelism degree should not exceed the number of Q/K/V heads because we need intact heads per TP rank. And in case we’re using GQA, TP degree should be below number of K/V heads, otherwise it requires additional comms to keep them in sync. For instance, LLaMA-3 8B has 8 Key/Value heads, so the tensor parallelism degree should be less than or equal to 8, otherwise if TP=16 for example, we need to duplicate each K/V head and make sure they stay in sync.

image.png

Finally note that there is a tradeoff in terms of communication as we’ve added several distributed communication primitive directly in the computation path of our model. At the difference of ZeRO where we could prefetch, it can be harder to make these communication fully overlap with computations.

Forward pass in Tensor Parallelism

Looking at the timeline of operations in tensor-parallel MLP (same applies for Attention), we can better understand the tradeoffs involved. In the forward of each decoder layer, we hit a synchronization point with the AllReduce operation that cannot be overlapped with computation. This exposed communication overhead is necessary to combine partial results across tensor-parallel ranks before the final LayerNorm can be applied.

Tensor parallelism does help reduce activation memory for the matrix multiplications since the intermediate activations are sharded across GPUs. However, we still need to gather the full activations for operations like LayerNorm, which means we're not getting the full memory benefits we could. Additionally, it introduces significant communication requirements that heavily depend on the network infrastructure. The inability to hide this particular AllReduce behind computation means it directly adds to the critical path of forward propagation.

Impact of Tensor Parallelism on model performance and batch size capacity: while increasing TP leads to reduced per-GPU throughput (left), it enables processing of larger batch sizes (right), illustrating the trade-off between computational efficiency and memory availability in distributed training.

Impact of Tensor Parallelism on model performance and batch size capacity: while increasing TP leads to reduced per-GPU throughput (left), it enables processing of larger batch sizes (right), illustrating the trade-off between computational efficiency and memory availability in distributed training.

In practice, the communication overhead of tensor parallelism becomes particularly noticeable as we scale beyond 8 GPUs. While tensor parallelism within a single node can leverage fast NVLink interconnects, going across nodes requires slower network connections. As shown in the throughput plot above, we observe significant drops when moving from TP=8 to TP=16, and an even steeper decline from TP=16 to TP=32. This illustrates how communication costs can dominate at higher degrees of parallelism.

However, tensor parallelism provides important benefits for memory usage by distributing model parameters, gradients, optimizer states and activations (to some extent) across GPUs. Let's examine this effect on a 70B parameter model:

As we can see, increasing tensor parallelism reduces the memory needed for model parameters, gradients and optimizer states on each GPU. While tensor parallelism does help reduce activation memory in attention and feedforward layers by sharding the matrix multiplications across GPUs, we don't get the full memory benefits we could. This is because operations like layer normalization and dropout still require gathering the full activations on each GPU, partially negating the memory savings. We can do better by finding ways to parallelize these remaining operations as well.

📝 Note

One interesting note about layer normalization in tensor parallel training - since each TP rank sees the same activations after the all-gather, the layer norm weights don't actually need an all-reduce to sync their gradients after the backward pass. They naturally stay in sync across ranks. However, for dropout operations, we must make sure to sync the random seed across TP ranks to maintain deterministic behavior.

This raises an interesting question - could we extend tensor parallelism to these remaining operations as well? Indeed, it's possible to parallelize layer norm, dropout and other operations too, which we'll explore next.

Sequence Parallelism

In regions where we apply tensor parallelism (TP), like attention and feedforward layers, each GPU only needs to operate on a portion of the hidden dimension since the weights are sharded. However, operations like layer norm or dropout (which is not used a lot anymore in LLM) require access to the full hidden dimension to compute correctly.

Rather than gathering the full hidden dimension on each GPU (which would defeat the memory benefits of TP), we can instead shard these operations along the sequence length dimension. This approach is called sequence parallelism (SP).

📝 Note

The term Sequence Parallelism is a bit overloaded: the Sequence Parallelism in this section is tightly coupled to Tensor Parallelism and applies to dropout and layer norm operation. However, when we will move to longer sequences the attention computation will become a bottleneck, which calls for techniques such as Ring-Attention, which are sometimes also called Sequence Parallelism but we’ll refer to them as Context Parallelism to differentiate the two approaches. So each time you see sequence parallelism, remember that it is used together with tensor parallelism (in contrast to context parallelism, which can be used independently).

Sequence parallelism (SP) involves splitting the activations and computations for the parts of the model not handled by tensor parallelism (TP) such as Dropout and LayerNorm, but along the input sequence dimension rather than across hidden dimension. This is needed because these operations require access to the full hidden dimension to compute correctly. For example, LayerNorm needs the full hidden dimension to compute mean and variance:

\text{LayerNorm}(x) = \gamma \cdot \frac{x - \mu}{\sqrt{\sigma^2 + \epsilon}} + \beta

where \mu = \text{mean}(x) and \sigma^2 = \text{var}(x) are computed across hidden dimension h.

So even though these operations are computationally cheap, they still require significant activation memory since they need the complete hidden dimension. SP allows us to shard this memory burden across GPUs by splitting along the sequence dimension instead.

In practice we’ll go from the left diagram to the right:

 in forward: f = no-op ; f* = all-reduce ; g = all-gather ; g* = reduce-scatter
            in backward: f = all-reduce ; f* = no-op ; g = reduce-scatter ; g* = all-gather
           SP region needs full hidden_dim

in forward: f = no-op ; f = all-reduce ; g = all-gather ; g = reduce-scatter in backward: f = all-reduce ; f = no-op ; g = reduce-scatter ; g = all-gather SP region needs full hidden_dim

The diagram shows how we transition between tensor-parallel and sequence-parallel regions using different collective operations (labeled "f" and "g"). The key challenge is managing these transitions efficiently while keeping memory usage low and maintaining correctness.

In the forward pass:

In the backward pass:

These operations "f" and "f" are called conjugate* pairs because they complement each other - when one is a no-op in forward, the other is an all-reduce in backward, and vice versa.

For sequence parallelism (SP), we use different operations labeled "g" and "g*". Specifically, we avoid using all-reduce in the SP region since that would require gathering the full activations and increase our peak memory usage, defeating the purpose of SP.

image.png

So what is actually happening here? As a famous LLM would say, let’s take it step-by-step:

Initial LayerNorm (SP Region)

First Transition (SP → TP)

First Linear Layer (TP Region)

Second Linear Layer (TP Region)

Final Transition (TP → SP)

A key advantage of sequence parallelism is that it reduces the maximum activation size we need to store. In tensor parallelism alone, we had to store activations of shape (b,s,h) at various points. However, with sequence parallelism, the maximum activation size is reduced to \frac{b \cdot s \cdot h}{tp} since we always either split along the sequence or hidden dimensions.

It’s a bit difficult to keep track of all the parts that are sharded differently in TP and TP/SP - believe us, we find it hard to map as well so we made this small table to summarize how the activations (aka hidden_states ) shape change across hidden dimension h and sequence dimension s during a forward pass:

Region TP only TP with SP
Enter TP (Column Linear) h: sharded (weight_out is sharded)
s: full
h: sharded (weight_out is sharded)
s: all-gather to full
TP Region h: sharded
s: full
h: sharded
s: full
Exit TP (Row Linear) h: full (weight_out is full + all-reduce for correctness)
s: full
h: full (weight_out is full + reduce-scatter for correctness)
s: reduce-scatter to sharded
SP Region h: full
s: full
h: full
s: sharded

And for the embedding layer:

Region Vanilla TP TP with SP
Embedding Layer (Row Linear sharded on vocab) h: full (weight_out is full + all-reduce for correctness)
s: unchanged
h: full (weight_out is full + reduce-scatter for correctness)
s: reduce-scatter to sharded

By using sequence parallelism, we can achieve even greater activation memory savings, allowing us to push our batch size and sequence length further than what would be possible with tensor parallelism alone. Let's see what that means for our previous 70B model example:

Does that mean that SP incurs more communication than TP? Well, yes and no. In the forward of a vanilla TP we had two all-reduce per transformer block, and in SP we have two all-gather and two reduce-scatter per transformer block. So SP does twice the number of communication operations as TP. But since an all-reduce operation can be broken down into to an all-gather + reduce-scatter (see in [TODO: Appendix link]) they’re actually equivalent in terms of communication. Same reasoning for backward as we just use the conjugate of each operation (no-op ↔ allreduce and allgather ↔ reducescatter).

If you’ve been paying close attention, you’ll notice that we’re talking about 4 comms ops in each layer (2 for Attention and 2 for MLP). This is how the MLP profiling looks like when using Tensor + Sequence Parallelism:

tp_sp_overlap.svg

Besides the fact that TP requires communications in each layer, it also can’t easily be overlapped with compute, which makes throughput heavily dependent on the communication bandwidth. This is why TP is usually done only within a node (TP≤8).

As you might expect, this communication overhead becomes increasingly problematic as we scale up tensor parallelism. To illustrate this, let’s check throughput as we scale TP with SP for a 3B model:

Impact of combined Tensor and Sequence Parallelism (TP/SP) on a 3B model’s performance and memory utilization with 4096 seqlen: when scaling both TP and SP together, there's a trade-off between computational efficiency (left) and memory capacity (right). While higher parallelism degrees reduce per-GPU throughput, they enable processing of significantly larger batch sizes by reducing the activation memory.

Let’s summarize our observations:

We have seen how TP helps us shard activations across several GPUs by splitting the attention and feedforward operations along the hidden dimension and how SP is a natural complement for the remaining operations by splitting along the sequence dimension.

However, there are two limits to TP and SP: 1) if we scale the sequence length the activation memory will still blow up in the TP region and 2) if the model is too big to fit with TP=8 then we will see a massive slow-down due to the inter-node connectivity.

📝 Note

Since LayerNorms in the SP region operate on different portions of the sequence, their gradients will differ across TP ranks. To ensure the weights stay synchronized, we need to allreduce their gradients during the backward pass, similar to how DP ensures weights stay in sync. This is a small communication overhead since LayerNorm has relatively few parameters.

We can tackle problem 1) with Context parallelism and problem 2) with Pipeline parallelism. Let’s first have a look at Context parallelism!

Context Parallelism

With Tensor Parallelism and Sequence Parallelism, we can reduce the memory requirements per GPU significantly as both model weights and activations are distributed across GPUs. However, when training models on longer and longer sequences (e.g. when scaling to 128k or more tokens per sequence) we might still exceed the memory available on a single node, because inside the TP region we still have to process a full sequence length.

Even if we use full recomputation of the activations, which comes at a heavy compute overhead (30%), we still need to hold in memory some activations at the layer boundaries which scale linearly with sequence length:

Can we apply similar ideas to our sequence parallelism approach but inside in the modules where we apply Tensor Parallelism already, thereby also reducing the effect of sequence length? Yes, it’s time to talk about Context Parallelism, which you will find quite intuitive after all we’ve already convered.

Given that activations scale linearly with sequence length, can we find a way to consistently split activations along the sequence dimension throughout the entire model, while paying attention to the Attention blocks (haha.. funny jokes :D) that require access to the full sequence? This brings us to Context Parallelism, a natural extension of the concepts we've covered so far.

The idea of Context Parallelism is quite simple; just like Sequence Parallelism, we’ll split the input along the sequence dimension but we now apply this splitting along the full model, instead of only the sequence parallel regions of the model as we’ve done previous with Tensor + Sequence Parallelism.

Splitting the sequence doesn't affect most modules like MLP and LayerNorm, where each token is processed independently. It also doesn’t require expensive communication like TP, as only the inputs are split and not the weight matrices. Just like data parallelism, after computing the gradients, an all-reduce operation is initiated to synchronize the gradients across the context parallelism group.

There is one important exception though, which is the attention module. In this module each token needs to access key/value pairs from all other sequence tokens or in the case of causal attention at least attends to each previous token.

Because Context Parallelism splits the inputs along the sequence dimension across GPUs, the attention module requires full communication between GPUs to exchange the necessary key/value data.

That sounds very expensive if we do it naively. Is there a way to do this rather efficiently and fast! Thankfully there is: a core technique to handle this communication of key/value pairs efficiently is called Ring Attention.

📝 Note

Context Parallelism shares some conceptual similarities with Flash Attention (see later for more details) - both techniques rely on online softmax computation to reduce memory usage. While Flash Attention focuses on optimizing the attention computation itself on a single GPU, Context Parallelism achieves memory reduction by distributing the sequence across multiple GPUs.

Discovering Ring Attention

In this implementation of attention, each GPU first initiates a communication operation to send its key/value pairs to other GPUs. While waiting for the other GPUs data, it computes the attention score for the portion of the data it already has in memory. Ideally, a next key/value pair is received from another GPU before this computation finishes, allowing the GPU to start the next round of computation immediately after it finishes its first computation.

To illustrate this, let's suppose we have 4 GPUs and an input of 4 tokens. Initially, the input sequence is split evenly along the sequence dimension, so each GPU will have just one token along with its corresponding Q/K/V values. For example, Q1, K1, and V1 represent the query, key, and value of the first token, which are located on the 1st GPU. The attention calculation will take 4 time steps to complete. At each time step, each GPU follows these 3 stages:

  1. Send “current keys and values” to the next machine except during the last time step in a non-blocking manner so it starts the following step before this step is finished
  2. 2. Locally compute the attention score on the “current keys and values” it already has, which typically involves performing Softmax(\frac{QK^T}{\sqrt{d}}) * Vd-math>.
  3. Wait to receive keys and values from the previous GPU and then move to step 1 with “current keys and values” being now the key/values just received from the previous GPU.

The whole process with 4 GPUs is shown in the following animation:

ring-attention.gif

With this animation, it’s also immediately clear why the authors chose to call this approach Ring Attention.

There is one big problem though which is that a naive implementation of Ring Attention lead to some strong imbalance between GPU streaming from the shape of the causal attention matrix. Let’s take a real look at what is happening in the SoftMax computation by considering the attention score matrix with the causal attention mask:

cp_attnmask.svg

The SoftMax is computed row-wise, which means whenever a GPU has received all the tokens of a row it can be computed. We see that GPU1 can immediately compute it as it starts with tokens 1-4 and GPU1 actually doesn’t need to receive any information from any other GPUs. However, GPU2 will need to wait for the second round to also receive 1-4 and thus have all values for tokens 1-8. Also, GPU1 seems to perform much less work than all the other GPUs.

Let’s see if we can balance our computations better:

Zig-Zag Ring Attention – A Balanced Compute Implementation

We need a better way to distribute the input sequences. This can be achieved by assigning the tokens not purely sequential to the GPUs but by mixing the ordering a bit such that we have a good mix of early and late tokens on each GPU. This approach is called Zig-Zag attention and in this new arrangement, the attention mask will show an even distribution of computation but if you count the number of colored squares, you’ll see that the computation is now balanced across all GPUs.

cp_zigzagmask.svg

At the same time we’ll also see that in order to complete all rows, each GPU will need information from all the other GPUs.

We have two general ways to overlap computation and communication, either by performing a general all-gather, regrouping all the KV on each GPUs at the same time (in a Zero-3 type of way) or we gather them one-by-one from each GPU to each GPU as needed:

cp_overlap_allgather.svg

cp_overlap_all2all.svg

The key difference between these two implementations lies in their communication patterns and memory usage:

1. AllGather Implementation:

2. All-to-All (Ring) Implementation:

The All-to-All approach generally offers better memory efficiency at the cost of slightly more complex communication patterns, while the AllGather approach is simpler but requires more temporary memory during the attention computation.

We've now seen how we can split a model across one node with TP to tame large models and that we can use CP to tame the activation explosion with long sequences. However, we saw that TP doesn't scale well across nodes, so what can we do if the model weights don't easily fit on 1 node? Pipeline parallelism to the rescue!

Pipeline Parallelism

In the TP section we saw that if we try to scale Tensor parallelism past the number of GPUs per single node (typically 4 or 8) we hit a lower bandwidth network called “inter-node connection” which can quite strongly impair our performances. We can see this clearly on e.g. the all-reduce operation when we perform it across several nodes:

Inter-node communication bandwidth measurements across different node counts, showing median (lines) and 5th-95th percentile ranges (shaded areas) for AllReduce, AllGather and ReduceScatter operations.

Sequence and context parallelism can help for long sequences but don’t help much if sequence length is not the root cause of our memory issues but rather the size of the model itself. For large model (70B+), the size of the weights alone can already push past the limits of the 4-8 GPUs on a single node. We can solve this issue by summoning the fourth (and last) parallelism dimension: “pipeline parallelism”.

pp_memoryusage.svg

Pipeline Parallelism is conceptually very simple –we’ll simply spread the layers of our model across GPUs – but the devil lies in implementing it efficiently. Let’s dive in it!

Splitting layers on various nodes - All forward, all backward

So, let’s say we simply spread the layers on several devices, e.g. a first GPU will take the first few layers and a second GPU will take the second part of the models and so on. The forward pass through our model now simply involves sequentially passing the batch of data along the model and thus successively using each compute device.

We have a direct first advantage: the required interconnect bandwidth stays quite low as we only send moderate-sized activations at a handful of location along the model depth. This is a huge difference e.g. compared to the communication in Tensor Parallelism, happening several times within each layer.

But maybe you start feeling a glimpse of the troubles to come: “sequentially” and “successively”?!? This doesn’t sound very efficient in the world of parallel computation, especially after our discussion about computation and communication overlap.

Indeed reader! The main challenge in pipeline parallelism will be how to efficiently circumvent the sequential nature of PP to keep our GPU busy at all times and avoid having one GPU computing while the others are waiting. Here is how our GPU utilization is looking when doing a naive and simple forward and backward pass through the model where the numbers indicate the model layers:

image.png

An example of Pipeline parallelism for a model with 16 layers distributed across 4 GPUs. The numbers correspond to the layer IDs.

The remaining idle time is indicated in grey and usually called the “bubble” and the sight of this probably break your heart after we spent so much time optimizing throughput.

We can quantify how efficient a pipeline setup is by looking at how much time we loose because of the bubble. Let’s say t_f and t_b are the times for the forward and backward pass, respectively, as measured for one microbatch and one stage of the pipeline (a simple assumption is often to have t_b \approx 2 \times t_f which you can see on the above graph). If we could perfectly parallelize the ideal total time would be t_{id}=t_f + t_b. However, we can count on the graph that due to the pipeline bubble there is additional time of t_{pb}=(p-1)*(t_f+t_b) (where p is the degree of pipeline parallelism, i.e the number of GPU on the above graph) ie. the time each GPU is waiting while other GPUs are computing.

We can compute the ratio of the additional bubble time over the ideal time:

r_{bubble} = \frac{(p-1)*(t_f+t_b)}{t_f+t_b} = p-1

As we add more stages the bubble time thus increases and the utilization drops.

Thankfully, various pipeline parallelism schemes have been designed to reduce the size of the bubble which as you can see on this naive example can be very large in a naive implementation.

Let’s take a first tool out of our toolbox and think about splitting our batch into smaller bit-sized portions which can be processed in parallel or almost, like we did before in data parallel for instance. Now when the second GPU is busy processing micro-batch 1, the first GPU can already start processing micro-batch 2. Here is a schedule using 8 micro-batches:

pp_afab2.svg

The above schedule is called the all-forward-all-backward (AFAB) schedule as we first do all forward passes and then only all-backward passes. The advantage is that forward and backward steps are still generally sequential and so preserving the general order of model training. This make this option rather simple to implement.

You can find the full implementation of the AFAB pipeline in picotron:

👉 AFAB PP implementation in Picotron (Click to expand)

Let’s estimate the bubble in this example. The difference with our first example is that the ideal time to process m microbatches is now t_{id} = m*(t_f+t_b):

r_{bubble} = \frac{(p-1)*(t_f+t_b)}{m*(t_f+t_b)} = \frac{p-1}{m}

As we can see, we can fight some inefficiencies of pipeline stages by adding more microbatches, reducing the size of the bubble by a factor of m.

However, as annoying as the bubble is the memory storage required for storing all activation. We need to keep all of the activations in memory until we reach the backward stage which lead to a quick memory explosion in these implementations of PP. Can we do better and avoid this memory explosion?

Since the memory explosion is triggered by the activation we store for the backward pass, let’s try to see if we can start performing the backward pass while we are still performing other forward part of the computation. This will allow us to drop some of the activations we need for the backward pass as soon as possible.

One-forward-one-backward and LLama 3.1 schemes

This schedule is called one-forward-one-backward (1F1B) as the middle/steady state involves alternatively performing one forward and one backward pass. The general idea is to start performing the backward pass as soon as possible. The schedule looks like this:

image.png

The bubble still has the same size so our training efficiency is not significantly improved. However we only need to store activations for p micro-batches instead of m which quite reduce the activation memory explosion we had in the AFAB schedule. As a consequence we can add more microbatches which then will actually reduce the bubble.

image.png

A major complexity of this setup, visible on the above graph is how forward and backward passes are not cleanly consecutive anymore but performed in parallel across devices. This means we will have to schedule the switch from forward to backward passes independently on each device instead of in a simple and common central training loop as usual.

This is one of the reason implementing Pipeline Parallelism usually requires rather extensive modifications to training code as well as modeling code.

Here is the example training loop from the above gist:

You can find the full implementation in picotron as well:

👉 1F1B PP implementation in Picotron (Click to expand)

So reordering a bit the computations helped a lot improving the memory pressure from activations. Could we get even better performance with more intricate schedules? Yes!

Interleaving stages

This schedule has let us improved memory usage but not much the size of the idle buddle. Can we also also reduce the time spent in the bubble?

Well it turns out this is possible if we are willing to bring in a few additional communications. Time to talk about interleaved stages.

Up to now we’ve sliced our model naively along the model depth dimensions, locating for instance layers 1-4 on the first GPU and layers 5-8 on the second GPU. But there are other ways we could think about slicing our layers, e.g. having odd layers 1, 3, 5, 7 on the first GPU and even layers 2, 4, 6, 8 on the second GPU.

This can be seen in general as a kind of “looping pipeline” where a micro-batch will move in circles from one GPU to the next as it goes through the forward pass through the model.

pp_1f1b_interleaved.svg

As a consequence we see additional communications happening as the model goes several times through each GPU for the same computation that previously just took one pass. However, each forward and backward pass is divided by a factor of v, where v is the number of stages or model chunks per GPUs as we are able to better interleave forward and backward passes.

\begin{aligned} &t_{pb} = \frac{(p-1)*(t_f+t_b)}{v} \\ &r_{bubble} = \frac{1}{v}\frac{(p-1)*(t_f+t_b)}{m*(t_f+t_b)} = \frac{p-1}{v*m} \end{aligned}

So we can now decrease the bubble by adding microbatches and interleaved stages, but note that quantitatively, the amount of communication also increases by v so it’s a trade off. In the following plot you can see several configurations for a PP setup with p=8, where the special case of m=1, v=1 corresponds to naive pipeline parallelism and the configurations with v=1 are AFAB or 1F1B setups and v \neq 1 are interleaved configurations.

pp_bubblesize.png

Scheduling also becomes more complex here as we need to decide on a GPU whether we are prioritizing at a given moment earlier micro-batches meaning that we close the forward and backward loops as fast as possible (so called “depth-first”, i.e. prioritizing getting batches out of the model as fast as possible) or we prioritize to first complete the forward passes of all microbatches in the queue before going over to backward passes (so called “breadth-first” i.e. prioritizing filling in the pipeline as much as possible). This is explained in detail in the "Breadth-Fist Pipeline" paper.

You now have all the elements to understand the pipeline parallelism approach in Llama 3.1 which is using a one-forward-one-backward setup with interleaved stages and a priority setting tuneable between depth-first and bread-first.

pp_llama3.1_schedule.png

However, we haven’t reached the end of possible pipeline schedules and recently some methods have been proposed to reduce the bubble to virtually zero! Peaked your curiosity? Let’s have a look!

Zero Bubble and DualPipe

There are even more sophisticated ways to reduce the bubble more and reached close to a “zero bubble” regime. The secret here is to split at an even finer-grained level the operations involved in order to interleave them in the most efficient way. For instance the pipeline implementation approach in DeepSeek V3/R1, called DualPipe reach close to a zero bubble regime.

Let’s very quickly see how this can work by detailing briefly the ZeroBubble work which is a precursor to DualPipe. The base observation of ZeroBubble is that a backward through a matrix multiplication involve actually two separated operations: backward for the inputs (B) and the backward for the weights (W):

image.png

image.png

While the output of B, the backward pass for the input, is necessary for performing the backward pass of the lower layers, the backward pass of the weights, W, is not necessary for the rest of the backward pass and generally only need to be performed before the optimiser step. This means W can be flexibly scheduled anywhere after the corresponding B of the same stage. This allows for strategic placement of W to fill the pipeline bubbles. The ZB-H2 schedule on the top right is an example of (theoretical) schedule with zero bubble taking advantage for this fine-grained decomposition.

DeepSeek’s DualPipe introduced with V3 proposes an extension of this decomposed approach to the case of two stream propagating from both sides of the PP ranks and being interleaved to minimize even further idle time in the GPUs are displayed in the following scheduling graph:

image.png

The ZeroBubble and DualPipe schedules are a bit too complex for us to give here code snippets but you should start to have a general idea of the concepts involved. In practice, optimizing these schedules requires careful measurements of the time for each operations followed by a scheduling algorithm able to find the most optimal allocation of time given the constrains. See for instance in the ZeroBubble paper for a discussion of the heuristics and algorithms to perform such a scheduling.

This concludes our tour into the world of pipeline schedules and bubbles. Let's turn to the last parallelism method we can use to train large models efficiently: Expert parallelism.

Expert parallelism

One more thing parallelism.

Mixture-of-expert models have gained some traction with models such as Mixtral or more recently DeepSeek-V3/R1! The basic idea is that instead of having a single feedforward module per layer we can have several and route tokens through different ones depending on their context:

ep_schema.png

Source: A Survey on Mixture of Experts

This design makes it very easy to add a new parallelism paradigm: Expert parallelism (EP). Since the feedforward layers are fully independent we can simply put each expert’s feedforward layer on a different worker. Compared to TP it’s much more lightweight, since we don’t need to split the matrix multiplication, we just need to route the hidden states of a token to the right expert. There are several tricks to make EP work in practice, closely tied to model design. For instance, DeepSeek-V3 enforces a constraint in the router, ensuring that each token is sent to at most M nodes (in their case, 4) to reduce communication overhead.

While Expert parallelism has been around for a while it is just now gaining new traction with the MoE architecture gaining more traction.

Congratulation reader, with this brief overview of Expert parallelism you have now seen all 5 parallelism strategies to scale model training:

However, one aspect you are maybe curious right now: how do all these parallelism strategies and ZeRO compare to each other? Let’s look at the similarities and interplay!

5D parallelism in a nutshell

Let’s start with Pipeline parallelism as ZeRO-3 and Pipeline parallelism have interesting similarities and differences.

Both methods are ways to partition the model weights over several GPUs and perform communication/computation along the model depth axis (for example in ZeRO-3, we prefetch the next layer while computing). In the following we say “a layer” to simplify what should be in general called “a set of layer” (as the basis sharding unit of the model). This means in both cases the full layers are computed on device, as opposed to TP, where the layers are sharded for the computation.

However, there are a few major differences between the two:

ZeRO-3 Pipeline parallel
each compute unit only stores a fraction of a layer each compute unit stores a full layer
communication is used to transfer weights communication is used to transfer activations
model agnostic orchestration model agnostic orchestration
Complex implementation to handle model partitioning and communications Complex implementation to handle efficient PP schedules
Prefers large mbs and seq\_len to hide comms Prefers large \text{grad\_acc} to hide bubble

Clearly ZeRO-3 and PP are distinctly different approaches to sharing the model layers and deciding to focus communication either on weights or on activations. While they can be combined, doing so requires increasing the global batch size significantly to amortize the communication costs, creating a tradeoff between global batch size, model size, network bandwidth, and training efficiency. If combined, ZeRO-3 should be configured to keep the weights in memory for each micro-batch in PP to minimize the communication overhead.

Note that ZeRO-1 and ZeRO-2 on the other hand are interesting to combine with Pipeline Parallelism as they focus on gradients and optimizer states instead of parameters and are thus complementary. For instance, DeepSeek-v3 used PP with ZeRO-1!

Tensor Parallelism (with Sequence Parallelism) is naturally complementary and interoperable with both Pipeline Parallelism and ZeRO-3, because it relies on the distributive property of matrix multiplication that allows weights and activations to be sharded and computed independently before being combined. However, TP has two important limitations: First, since its communication operations are part of the critical path of computation, it doesn't scale well beyond a certain point as communication overhead begins to dominate. Second, unlike ZeRO and PP which are model-agnostic, TP requires careful handling of activation sharding - sometimes along the hidden dimension (in the TP region) and sometimes along the sequence dimension (in the SP region) - making it more complex to implement correctly and requiring model-specific knowledge to ensure proper sharding patterns throughout.

image.png

When combining parallelism strategies, TP will typically be kept for high-speed intra-node communications while ZeRO-3 or PP can use parallelism groups spanning lower speed inter-node communications, since their communication patterns are more amenable to scaling. The main consideration is organizing the GPU groups efficiently for each parallelism dimension to maximize throughput and minimize communication overhead, while being mindful of TP's scaling limitations.

Context Parallelism and Expert Parallelism also help us sharding activations, and can be seen as complimentary to TP — The former handles long sequences while the latter enables distributed Mixture of Experts training.

Context Parallelism (CP) specifically targets the challenge of training with very long sequences by sharding activations along the sequence dimension across GPUs. While most operations like MLPs and LayerNorm can process these sharded sequences independently, attention layers require communication since each token needs access to keys/values from the full sequence. This is handled efficiently through ring attention patterns that overlap computation and communication. CP is particularly valuable when scaling to extreme sequence lengths (128k+ tokens) where even with full activation recomputation the memory requirements for attention would be prohibitive on a single GPU.

image.png

Expert Parallelism (EP) specifically targets the challenge of training Mixture of Experts (MoE) models by sharding specialized "experts" across GPUs and dynamically routing tokens to relevant experts during computation. The key communication pattern in EP is the all-to-all operation needed to route tokens to their assigned experts and gather the results back. While this introduces some communication overhead, it enables scaling model capacity significantly since each token only needs to compute through a fraction of the total parameters. This partitioning of experts across GPUs becomes essential when working with models that have a large number of experts, like DeepSeek which uses 256 experts.

It's worth noting the scope of impact for these different parallelism strategies:

📝 Note

This similarity between EP and DP in terms of input handling is why some implementations consider Expert Parallelism to be a subgroup of Data Parallelism, with the key difference being that EP uses specialized expert routing rather than having all GPUs process inputs through identical model copies.

TODO: the text between the table and figueres is still a bit sparse.

Tensor + Sequence Parallel Context Parallel Expert Parallel
shards weights and activations along hidden/seq dim shards activations along sequence dim shards specialized expert weights and activations
communication for matrix multiply operations (column/row linears) communication for attention key/values communication for token routing to experts
model-specific implementation needed model-agnostic except for attention model-agnostic except for MoE layers
Prefers high-bandwidth intra-node communication Prefers large sequence lengths Requires MoEs

Which leads us to this beautiful diagram to summarize all what we’ve seen:

image.png

And to have an idea of the memory benefits of each parallelism:

image.png

How to Find the Best Training Configuration

We’ve now covered all the parallelism techniques that are actually used to distribute and training larger models. There remain a general question: which ones should we choose and which ones are best combined? We touched a little bit on this at the end of the last section but in this section we will walk through the decision process step by step.

First let's have a quick look at each parallel strategy and how it helps and at what cost it comes:

Method Memory savings Parallel/sharding dimension Disadvantage
DP None (replicates everything) Batch Limited by max batch size
ZeRO-1 Optimizer states Batch Params communication overhead
ZeRO-2 Optimizer states and gradients Batch Params communication overhead
ZeRO-3 Optimizer states, gradients, and model parameters Batch and Model Params Params communication overhead
PP Model Model layers Idle bubble and complex schedules
TP/SP Model and activations Hidden dimension / Sequence length Requires high bandwidth communication
CP Activations Sequence length Communication overhead in attention
EP Experts parameters Expert dimension Requires MoE layers, routing overhead

Clearly, there is no free lunch for any of those methods but we can actually come up with a few rules that help finding a good starting point. To find the definitive optimal setup you'll have to run a few experiments in any case.

Step 1: Fitting a Training Step in Memory

First, we need to figure out how we can fit a single model instance on GPUs. There are two general cases.

GPU-rich case 🤑 - when you have plenty of GPUs available:

Special considerations:

GPU-poor case 😭 - when running out of GPU resources:

Now that we have a single model instance training, we need to make sure we have the right batch size.

Step 2: Achieving Target Global Batch Size

Depending on how we setup in step one in terms of micro batch size and DP, our current batch size might be too small or big.

To increase global batch size:

To decrease global batch size:

Ok, now we have the model running in the configuration we want, but is it the fastest way? Let's optimize throughput next.

Step 3: Optimizing Training Throughput

So we want to make sure the training is running as fast as possible so all our precious GPUs are well utilized at all times. As long as memory and communication aren't bottlenecks we can try the following:

We can roughly summarize the journey to the best configuration in the following diagram:

image.png

This concludes our very deep dive into the distribution methods of 5D parallelism. However, besides scaling our model efficiently across GPUs there is another way to improve model throughput and memory management.

Time to turn the lights off and activate CUDA mode!

Diving in the GPUs – fusing, threading, mixing

Up to now our discussion has been focused on the high-level organization of our model operations. We’ve moved around computations on various accelerators, taking into account general memory constraints and high-level scheduling of the compute units.

But this ignored all the optimizations we can do at a much lower level by carefully understanding how our model operations are scheduled and performed on each GPU.

This section will dive into much more details of the GPU architecture and in particular in NVIDIA’s GPU architecture but the general ideas, as often, can be reused on similar accelerator units.

We’ll briefly explain how GPU are organized before covering the Flash-Attention revolution, how to efficiently schedule workload on GPU and finally explain how various precisions can be efficiently used on GPU.

A primer on GPU

Generally, GPUs have a very hierarchical organization. In this primer we’ll keep the discussion at the concept levels that are necessary for the rest of our presentation.

On the compute side, GPUs consist of an array of compute units called Streaming Multiprocessors (SM). Each SM contains and controls a set of streaming processors, also known as cores. For example, an Nvidia H100 GPU has 132 SMs with 128 cores per SM, resulting in a total of 16,896 cores (see docs for tensor cores for details), each capable of handling multiple threads simultaneously.

image.png

TODO: Original figure from https://blog.codingconfessions.com/p/gpu-computing.

The memory side is also highly hierarchical with several layers of cache and memory: Registers are the smallest units and are private to the threads during executions, Shared Memory and L1 cache are shared between the threads running on a single SM, higher up is the L2 cache shared by all SMs, finally there is the Global Memory which is the largest memory on the GPU (the advertised 80 GB for a H100 for instance) but also the slowest to access and query.

image.png

TODO: Original figure from https://www.youtube.com/watch?v=ZQKMZIP3Fzg

The goal of GPU will be to run as many workloads as possible, in parallel, on the GPU cores, by taking advantage of this hierarchical organization of compute/memory.

A piece of code running on a core of the GPU is called a kernel. It can be written at a high-level in CUDA or Triton for instance, and is then compiled to Parallel Thread Execution, PTX, the low-level assembly used by NVIDIA GPUs.

To run the kernel, you will also need a specific code part, called host code, which is executed on the CPU/host and will take care of preparing data allocations and loading data and code.

image.png

Figure 5: Host code for a CUDA kernel for adding two vectors from https://blog.codingconfessions.com/p/gpu-computing

image.png

Figure 6: Device code containing the definition of the vector addition kernel from https://blog.codingconfessions.com/p/gpu-computing

Kernels are generally scheduled as follow:

The main thing to remember from these details is that there are various sizing and allocation constraints (size of the various memories, number of concurrent block and threads in the wraps) which need to be taken into account to use the GPU architecture in the most efficient way.

Most of the time you don’t need to go down to this level of precision and you can luckily reuse the kernels and code prepared by other members of the community. But in any case we want to give you a primer on how to get started with kernels!

How to improve performance with Kernels ?

If you’re looking to add a new operation that lacks an optimized kernel or to speed up an existing PyTorch function, writing kernels from scratch might seem like the most direct route. However, creating high-performance CUDA kernels from scratch requires extensive experience and a steep learning curve. Generally a better way to get started is to leverage torch.compile, which dynamically optimizes PyTorch code by capturing your operations and generating lower-level, high-performance kernels in triton.

Let’s suppose you want to write a kernel for an activation function called Exponential Linear Unit:

\text{ELU}(x) = \begin{cases} e^x - 1 & \text{if } x < 0 \\ x & \text{if } x \geq 0 \end{cases}

TODO: something off with spacing but seems the rendering engine

You can start by a simple pytorch implementation and then just add the @torch.compile decorator on top:

@torch.compile def elu(x, alpha=1.0): return torch.where(x < 0, alpha * (torch.exp(x) - 1), x)

The distinction between the compiled and non-compiled versions is striking, especially given that we only added a single decorator. This remarkable difference is illustrated in the graph below (N is the number of columns):

image.png

However, if this performance increase is insufficient, you can consider implementing Triton kernels. As a starting point, you can take a look at the triton kernel generated by @torch.compile . To do so, you simply need to set the environment variable TORCH_LOGS to "output_code":

export TORCH_LOGS="output_code"

Once you run the Python script with the @torch.compile decorator, it will generate and output the corresponding Triton kernel, which, in this case, is:

@triton.jit def triton_(in_ptr0, out_ptr0, xnumel, XBLOCK : tl.constexpr): xnumel = 100000000 xoffset = tl.program_id(0) * XBLOCK xindex = xoffset + tl.arange(0, XBLOCK)[:] xmask = xindex < xnumel x0 = xindex tmp0 = tl.load(in_ptr0 + (x0), xmask) tmp1 = 0.0 tmp2 = tmp0 < tmp1 tmp3 = tl_math.exp(tmp0) tmp4 = 1.0 tmp5 = tmp3 - tmp4 tmp6 = tl.where(tmp2, tmp5, tmp0) tl.store(out_ptr0 + (x0), tmp6, xmask)

To enhance readability, we can modify the variable names, add comments, and make slight adjustments, as demonstrated below:

@triton.jit def elu_kernel(input_ptr, output_ptr, num_elements, BLOCK_SIZE: tl.constexpr): # Calculate the starting index for this block block_start = tl.program_id(0) * BLOCK_SIZE # Create an array of indices for this block block_indices = block_start + tl.arange(0, BLOCK_SIZE)[:] # Create a mask to ensure only valid indices are processed valid_mask = block_indices < num_elements # Load input values from the input pointer based on valid indices input_values = tl.load(input_ptr + block_indices, valid_mask) # Define the ELU parameters zero_value = 0.0 # Threshold for ELU activation negative_mask = input_values < zero_value exp_values = tl.math.exp(input_values) # Define the ELU output shift one_value = 1.0 shifted_exp_values = exp_values - one_value output_values = tl.where(negative_mask, shifted_exp_values, input_values) # Store the computed output values back to the output pointer tl.store(output_ptr + block_indices, output_values, valid_mask)

Here, tl.program_id(0) provides a unique block ID, that we use to determine which section of data that block will process. Using this block ID, block_start calculates the starting index for each block’s section, while block_indices specifies the range of indices within that section. A valid_mask ensures that only indices within num_elements are processed, safely loading the data with tl.load. The ELU function is then applied, modifying values based on whether they're negative, and results are written back to memory with tl.store.

When we benchmark the generated kernel using triton.testing.Benchmark we have the following performance:

image.png

This standalone kernel demonstrates superior performance with smaller sizes compared to @torch.compile but this is likely here just an artifact from the compilation time of torch.compile. In any case, instead of starting from scratch, we can focus on optimizing this generated kernel, saving us time in the process.

However, in Triton, sometimes, we cannot fully achieve the peak performance of the device due to limitations in handling shared memory and scheduling within streaming multiprocessors (SMs). Our access is restricted to blocks, allowing us only to manage the scheduling of blocks across SMs. To gain even more control, we will need to implement kernels in CUDA, where we have access to all the underlying components.

In CUDA, there are various techniques that can be employed to make kernels more efficient; we will present just a few. These include optimizing memory access patterns to reduce latency, using shared memory to store frequently accessed data, and managing thread workloads to minimize idle times. In summary, the tools for writing code to execute instructions on the GPU are:

Let’s talk about one of the most frequent technique we can use: optimizing memory access. The global memory in GPUs (the largest memory in our above graph) has a long latency and low bandwidth in comparison to the cache which often creates a major bottleneck for most applications. Efficiently accessing data from global memory can improve a lot the performance.

Memory Coalescing

To effectively utilize the bandwidth of global memory, it is essential to understand its architecture. In CUDA devices, global memory is implemented using DRAM.

Memory coalescing takes advantage of how DRAM delivers data in bursts, or ranges of consecutive memory locations, whenever a memory address is accessed. Each time a DRAM location is accessed, a sequence of consecutive locations, including the requested one, is read in parallel by multiple sensors in the DRAM chip. Once read, this data can then be quickly transferred to the processor as a burst. In CUDA, coalescing uses this burst behavior to maximize memory access efficiency by ensuring that threads in a warp—32 threads that execute the same instruction in lockstep (SIMD)—access consecutive memory locations. For instance, if thread 0 accesses location M, thread 1 accesses M + 1, thread 2 accesses M + 2, and so forth, the GPU hardware coalesces or combines these requests into one large, efficient access request for the DRAM burst, rather than handling each access individually.

Let’s take the example of matrix multiplication. A simple, straightforward implementation would have each thread compute a single element of the output matrix, like this:

__global__ void matmul_naive(int M, int N, int K, const float *A, const float *B, float *C) { const uint x = blockIdx.x * blockDim.x + threadIdx.x; const uint y = blockIdx.y * blockDim.y + threadIdx.y; if (x < M && y < N) { float tmp = 0.0; for (int i = 0; i < K; ++i) { tmp += A[x * K + i] * B[i * N + y]; } C[x * N + y] = tmp; } }

Here’s an excellent visualization of the kernel from this fantastic blogpost:

image.png

However, when profiling this kernel with a tool like ncu, we can see issues, including low memory throughput and uncoalesced memory accesses.

image.png

image.png

The reason for this is that in this kernel, two threads in the same block with Thread IDs (0, 0) and (1, 0) (which will end up in the same warp) will both load from the same column of matrix B but different rows of matrix A. Since matrix elements are stored in row-major order (meaning each row's elements are in consecutive memory addresses, as shown in the figure below), in the first iteration with i = 0, thread (0, 0) will load A_{0,0}, and thread (1, 0) will load A_{1,0}. These elements are not stored close to each other in memory, and this misalignment repeats across all iterations along the shared dimension, preventing memory accesses from being coalesced.

image.png

To improve our kernel we can change the way the coordinates x and y are calculated like the following :

const int x = blockIdx.x * BLOCKSIZE + (threadIdx.x / BLOCKSIZE); const int y = blockIdx.y * BLOCKSIZE + (threadIdx.x % BLOCKSIZE); if (x < M && y < N) { float tmp = 0.0; for (int i = 0; i < K; ++i) { tmp += A[x * K + i] * B[i * N + y]; } C[x * N + y] = tmp; }

Instead of using a 2D block, we switch to a 1D block and redefine how we determine the values of x and y. In this new method, threads within the same warp (which have close threadIdx.x values) will share the same x value but have different y values. This means that they will load the same row of matrix A but different columns of matrix B. As a result, memory accesses can be coalesced for a row-major matrix.

When we profile our new kernel, we notice that the warning about uncoalesced memory accesses has disappeared, and the GPU's memory throughput has increased by approximately 10 times.

image.png

We also notice that the execution time of the kernel decreases by 10x !

Let’s cover another technique you will often see mentioned in the litterature: tiling.

Tiling

Tiling is a technique that leverages shared memory to optimize memory access patterns. As we mentioned above, the shared memory is a small, fast memory accessible by all threads within a block. It allows data to be reused by multiple threads, reducing the need to repeatedly load data from slower global memory.

In matrix multiplication for example, each thread in a block may need elements from two matrices, say A and B. If each thread independently loads the row and column it needs from global memory, we end up with many redundant loads, as multiple threads in a block will access overlapping data. Instead, we can use tiling to load a block (or tile) of A and B into shared memory just once, allowing all threads in that block to reuse the same shared data.

In the tiling approach, each iteration involves all threads within a block cooperatively loading two tiles—one from matrix A and another from matrix B —into shared memory. Specifically, threads load a tile of matrix A (of size BLOCK_SIZE_M by BLOCK_SIZE_K) and a tile of matrix B (of size BLOCK_SIZE_K by BLOCK_SIZE_N). Once the tiles are in shared memory, the threads perform matrix multiplication on these tiles, enabling efficient computation since all necessary data is quickly accessible. The results of the tile multiplication are stored in an accumulation matrix that holds intermediate results. After each iteration, the results from the current tile multiplication are added to this accumulation matrix, continuing until all tiles from both matrices have been processed.

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From https://cnugteren.github.io/tutorial/pages/page4.html

The important parts to understand the implementation are below (for simplicity we consider a square shaped tile) :

// Set pointers to the starting elements A += blockRow * TILE_SIZE * K; // Start at row = blockRow, column = 0 B += blockCol * TILE_SIZE; // Start at row = 0, column = blockCol C += blockRow * TILE_SIZE * N + blockCol * TILE_SIZE; // Start at row = blockRow, column = blockCol float sum = 0.0; // The outer loop moves through tiles of A (across columns) and B (down rows) for (int tileIdx = 0; tileIdx < K; tileIdx += TILE_SIZE) { sharedA[localRow * TILE_SIZE + localCol] = A[localRow * K + localCol]; sharedB[localRow * TILE_SIZE + localCol] = B[localRow * N + localCol]; // Ensure all threads in the block have completed data loading __syncthreads(); // Shift pointers to the next tile A += TILE_SIZE; B += TILE_SIZE * N; // Compute the partial dot product for this tile for (int i = 0; i < TILE_SIZE; ++i) { sum += sharedA[localRow * TILE_SIZE + i] * sharedB[i * TILE_SIZE + localCol]; } // Synchronize again to prevent any thread from loading new data // into shared memory before others have completed their calculations __syncthreads(); } C[localRow * N + localCol] = sum;

Each thread begins by loading one element from both Matrix A and Matrix B into shared memory. In this scenario, achieving coalesced memory access is straightforward, by assigning threadIdx.x as the local column index (localCol), threads within the same warp will access adjacent elements of both matrices. After each thread in the block completes loading its elements into shared memory (ensured by calling __syncthreads()), they proceed to compute the dot product of the two tiles. Once the threads have iterated through all the tiles—horizontally for Matrix A and vertically for Matrix B—the resulting sum is stored in the corresponding location of Matrix C.

When benchmarking this kernel using ncu, we noticed that the memory throughput increased to 410 Gb / s, and the kernel execution time decreased by ~43% achieving a ~6.6 TFLOPs performance

Thread Coarsening

The tiling technique has significantly improved the performance of our kernel. However, when analyzing the warp states which quantify how many cycles were spent in each state, we observe the following:

image.png

The meaning of the states can be found in the Profiling Guide, specifically in the Warp Stall Reasons section. There we can read that:

"smsp__pcsamp_warps_issue_stalled_mio_throttle: Warp was stalled waiting for the MIO (memory input/output) instruction queue to be not full. This stall reason is high in cases of extreme utilization of the MIO pipelines, which include special math instructions, dynamic branches, as well as shared memory instructions. When caused by shared memory accesses, trying to use fewer but wider loads can reduce pipeline pressure."

So it seems warps are stalling waiting for shared memory accesses to return ! To resolve this issue we can apply the Thread Coarsening technique by merging several threads into a single coarsened thread, we can significantly reduce shared memory accesses because each coarsened thread can handle multiple output elements which would increase the arithmetic intensity of the kernel.

Minimizing Control Divergence

A Streaming Multiprocessor (SM) is built to execute all threads in a warp using the Single Instruction, Multiple Data (SIMD) model. This means that at any given moment, one instruction is fetched and executed simultaneously for all threads within the warp. When a warp is executed, the threads within it operate on different segments of the data but follow the same instruction, hence the name Single Instruction, Multiple Data. The primary advantage of SIMD is its efficiency; the control hardware responsible for instruction fetching and dispatching is shared among multiple execution units. This design minimizes the hardware overhead associated with control functions, allowing a greater portion of the hardware to focus on improving arithmetic throughput.

Control divergence occurs when threads within the same warp take different execution paths. For instance, if a conditional statement (like an if statement) leads to some threads executing one block of code while others execute a different block, the warp must serialize these executions, resulting in idle threads waiting for others to complete. To minimize control divergence, we need to design kernels to ensure that threads within the same warp follow the same execution path. This can be achieved by restructuring code to reduce branching, using data structures that ensure all threads follow similar execution paths, or employing techniques such as predication.

We have covered some of the main considerations when writing custom kernels and improving the performance and memory footprint of GPU operations. But there’s one more important concept before moving to a real example which is “fusing kernels”.

Fused Kernels

In several places now we’ve mentioned how GPU and CPU operation can be asynchronous. In particular, the host code on the CPU can schedule workload on the GPU in a non-blocking way.

Non-blocking can be useful for overlapping communication and computation as we saw at several part along this blog post but can be extended to the more general idea of trying to avoid at all cost going back and forth between host and GPU kernel commands. This is beautifully illustrated by Horace He in these diagrams:

image.png

A sequence of kernels requiring back and forth between global memory and compute units

image.png

Instead of sending our triangle back to global memory just to read it back again, we instead just do all of our operations in one go.

How can we avoid this back and forth? Well the best way is to make our GPU as autonomous as possible. This is achieved by packing as many successive compute operations together in a single kernel for the GPU to run, called a “Fused Kernel”.

Fused kernel are especially efficient and simple to write for succession of point-like operations which are performed independently of each other on each input tokens. In this case, there is no point in bringing back computed values in Global Memory before moving them to SM memory and spinning up a new kernel. It’s much more efficient to keep all values local until the succession of computation has been performed.

What are many places in a Transformer model were this can be advantageous, for instance when. a succession of point-wise operations is performed, e.g. in the computation involved in the Layer norms.

We now have all the understanding necessary to marvel at a true masterpiece of kernel engineering: Flash Attention

Flash Attention 1-3

Flash attention is a technique pioneered by Tri Dao that optimizes the attention computations by writing custom CUDA kernels to make it much faster *and* more memory efficient. The idea behind Flash Attention is to make efficient use of the various memories of the GPU to avoid using too much the slowest global memory of the GPU (confusingly called the High Bandwidth Memory, HBM 🫠)

A basic implementation of the attention mechanism involve a lot of transfer between memory and workers. It requires materializing the S and P matrices in HBM which means that the results need to be sent to HBM and then back to SRAM for the next computations:

image.png

Since bandwidth is much lower in HBM this introduces a severe bottleneck in the attention computation. Can we do better? Tri Dao says yes!

The key element is to compute the S matrices in small pieces which can fit in the smaller shared memory of the SM. But we can do even better and avoid materializing the very large S matrix all together in favor of keeping only the necessary statistics for computing the normalization factor of the softmax. So we can compute part of O directly in one computation in SRAM rather than moving intermediate results back and forth. In this case, not even do we make use of the shared memory but we also release the memory bottleneck resulting from materializing one of the largest activation matrices in the model (at long context length), the attention matrix.

image.png

From the FLASH-ATTENTION paper

The idea of flash attention resolves so many bottlenecks in model training that it has quickly become the default way to perform attention in all transformers:

As a result as well, all variants of linear attention and sub-quadratic approaches to approximate attention –developed shortly after the invention of the transformers architecture– have been mostly put aside in favor of this exact and fast flash attention implementation and mechanism.

Following Flash-attention 1, two successive improved versions have been released by the same lab: Flash-attention 2 and 3. In comparison to Flash-attention 1, the improvements in Flash-attention 2 and 3 are less about the general attention mechanism than about tailoring its low level implementation more specifically to the GPU by (1) reducing the number of non-matmul operations as much as possible (2) partitioning carefully the workload among wraps and thread blocks (for Flash Attention 2) and carefully optimizing for FP8 and Tensor Core support on the latest Hopper (H100) architecture for Flash Attention 3.

Flash-Attention is a master demonstration of the breakthrough improvements that can come when you take into account the internal memory/compute design of current GPU accelerators.

The techniques described so far in this section require specific modeling code changes and writing custom kernels for certain operations in order to speed up training. In this section we take a look at a range of methods that are agnostic to the modeling code and can be used for any model!

Mixed Precision Training

Mixed Precision Training, as the name suggests, involves mixing different precisions when training. The default numerical precision of PyTorch tensors is single-precision floating point format or also called FP32 or float32 which means that every number stored takes up 32 bits or 4 bytes. The available bits to represent a number are divided into 3 parts:

The principle of floating point numbers can be easily illustrated by recalling the scientific notation of numbers, e.g. - 5.734 \times 10^{7}, where we first have the sign, followed by the mantissa an the exponent. As such we can represent numbers across a wide range of magnitudes with an adaptive precision. Although float32 is the default there is a range of floating point formats available in PyTorch:

Format Total bits Sign Mantissa Exponent
float32 32 1 23 8
float16 16 1 10 5
bfloat16 16 1 7 8
float8 (e4m3) 8 1 3 4
float8 (e5m2) 8 1 2 5

Reducing the total number of bits comes at a price (no free lunch here either), but we have some control over how to pay. Either we can sacrifice more bits on the mantissa or exponent. For this reason there exist also two float8 formats, named according to exponent and mantissa, to flexibly choose the most appropriate format. We can look at the possible range of numbers for each format:

image.png

We can see that float32 spans 80 orders of magnitude and float16 sacrifices a lot of range while bfloat16 maintains the full range. The two float8 formats reduce the range even further where e5e2 can maintain float16 range and e4m3 has an even smaller ranger.

How come some format are able to maintain the range and other not? Let’s investigate the resolution by plotting 10,000 points between 1 and 2. Each point will be rounded to the nearest representable number in each format:

image.png

We can see here that bfloat16 maintained the range of float32 over float16 but did this with the cost of sacrificing more precision. In case of float8 the situation is even more dire as e4m3 can represent 7 and e5m2 only 3 number on the interval 1-2.

A common metric to measure a formats resolution is epsilon: the first representable number after 1.00. We can see that for the float32 format $10^{-4}$ is an upper bound (it’s actually 1.19^{-7}). For float16 it is \tilde 10^{-3} and for bfloat 10x higher still.

The idea of mixed precision training is to use some of these lower precisions formats while maintaining the performance of full precision training. It turns out we can’t totally abandon float32 and usually will need to maintain some parts in full precision.

This is why lower precision training is usually called mixed precision training.

Let’s now take a look at training models with 16 bits and then see if we can take it a step further all the way down to 8 bits.

FP16 and BF16 training

Naively switching all the tensors and operations to float16 unfortunately doesn’t work and the result is usually diverging losses. However, the original mixed precision training paper came up with three tricks to match float32 trainings:

  1. FP32 copy of weights: There are two possible issues with float16 weights. During training some of the weights can become very small and will be rounded to 0. However, even if the weights themselves are not close to zero, if the updates are very small the difference in magnitude can cause the weights to underflow during the addition. Once the weights are zero they will remain 0 for the rest of training as there is no gradient signal coming through anymore.
  2. Loss scaling: We have a similar issue with the gradients as well as gradients tend to be much smaller than 1 and are thus at risk to underflow. A simple, yet effective, strategy is to scale the loss before the backward pass and unscale the gradients after the backward pass. This ensures that there is no underflow during the backward pass and the scaling is not affecting training as we unscale before processing the gradients further (e.g. clipping) and the optimization step.
  3. Accumulation: Finally, when performing arithmetic operations in float16 such as in dot products, we can also face under or overflows. Does targeting certain types of arithmetic operations to accumulate the intermediate results in float32 during the operation and then casting the accumulated result back to fp16. For the same reason gradients are also accumulated in float32.

With these techniques, you get consistently stable training while benefitting from higher throughput due to the faster, lower precision operations. Naturally, as the curious reader you are and by now slightly addicted to maximizing the throughput, you ask the question: can we go further and faster?

Maybe!

FP8 pretraining

Even if we perfectly overlap communication with computation, we always eventually run into the low level theoretical FLOPS limit of the hardware itself, i.e. the efficiency of each individual operation on our hardware. This is where numerical precision becomes crucial. For instance, on NVIDIA's H100 GPU, FP8 matrix multiplications (GEMM operations) achieve twice the theoretical FLOPS of bfloat16, making lower-precision training an attractive path for further optimization.

Recent research - including FP8-LM, torchao, and DeepSeek-V3 - has demonstrated the potential of FP8 training for large-scale models. Still, FP8 pretraining introduces a significant challenge: stability. At lower precision, numerical instability often leads to loss divergence, making it difficult to match the accuracy of higher-precision training.

We know that instability increases as learning rates rise for a fixed model size, making FP8 pretraining particularly tricky.

The first, successful, very large scale training with FP8 mixed precision was publicly reported on DeepSeek-V3. The authors carefully analyzed each operation of the forward pass (Fprop) as well as the activation (Dgrad) and weight (Wgrad) backward pass. Similar to BF16 mixed precision training, some aggregation and master weights are kept in higher precision while the operations themselves are performed in FP8.

image.png

In order to switch from high precision (e.g. FP32 or BF16) to lower precision (e.g. FP16 or FP8) with smaller range, we need to normalize the range of values by computing the absolute maximum. DeepSeek-V3 also introduces a quantization scheme, where the ranges are normalized per tile: 1x128 for inputs/activations and 128x128 for weights and scale elements. This makes the normalization less susceptible to outliers. There is a number of additional tricks they deploy to also reduce the memory and communication footprint which you can follow in section 3.3. of the DeepSeek-V3 technical report.

Here’s a summary of a few known approaches to FP8 training:

GEMM's precision Master model weights Accumulated gradients Model weights Gradients Optimizer States Total Memory
bfloat16 with fp32 mixed precision baseline bf16 fp32 fp32 bf16 bf16 fp32 + fp32 4 + 4 + 2 + 2 + 4 + 4 = 20 bytes
Above without FP32 grad accumulation bf16 fp32 bf16 bf16 fp32 + fp32 4 + 2 + 2 + 4 + 4 = 16 bytes
Transformer Engine fp8 fp32 fp32 fp32 + fp32 4 + 4 + 4 + 4 = 16 bytes (20% reduction)
FP8-LM's O3 level fp8 fp16 fp16 fp8 fp8 fp8 + fp16 2 + 2 + 1 + 1 + 1 + 2 = 9 bytes (55%)
DeepSeek-V3 fp8 fp32 fp32 fp8 bf16 bf16 + bf16 4+4+1+2+2+2 = 15 (25%)
nanotron's FP8 fp8 bf16 fp32 fp8 fp8 fp8 + fp8 2 + 4 + 1 + 1 + 1 + 1 = 10 bytes (50%)

Overall, FP8 is still an experimental technique and methods are evolving, but will likely become the standard soon replacing bf16 mixed-precision. To follow public implementations of this, please head to the nanotron’s implementation in [TODO: link to appendix].

In the future, Blackwell, the next generation of NVIDIA chips, have been announced to support FP4 training, further speeding up training but without a doubt also introducing a new training stability challenge.

We now arrived at the end of the distributed training journey. Let’s take a step back and conclude.

Conclusion

Congratulations! You've completed quite a journey - from understanding how to train a simple model on a single GPU, all the way to mastering the complex techniques used to efficiently train massive language models like Llama-405B and DeepSeek-V3. By now, you should feel confident interpreting advanced parallelism diagrams like the one below, which would have seemed daunting when you first started.

image.png

In distributed training, many concepts sound easy enough when you first hear them, like “Pipeline parallelism just distributes layers on different GPUs”, but we also worked through all the challenging details when implementing those methods.

However, not only did you learn something in the process, but we also want to share some insights we gained along the way, as well as give you ideas on what to work on next if you want to gain more experience in distributed training.

Let’s start with a brief recap of all the things we covered in these past hours and days!

What you learned

Working through this whole blog post you mastered a ranged of concepts:

Furthermore, you saw code implementations of most methods and how to benchmark a distributed training. But it hasn’t been only a learning experience for you, also we learned a thing or two!

What we learned

Running benchmarks on a cluster turned out to be much more challenging than we initially expected! What seemed like straightforward tasks often became complex debugging sessions:

These challenges deserve their own story, but they taught us valuable lessons about the complexities of distributed training infrastructure. What looks simple in theory often requires careful attention to many moving parts in practice.

Let's analyze the results of our benchmarks and understand how different configurations affect each other. All benchmarks were run with a sequence length of 4096 and a global batch size of 1M tokens. We'll look at two key visualizations that help illustrate our findings.

First, let's examine this heatmap visualization:

image.png

Heatmap visualization showing the optimal training configurations across different model sizes and compute node counts. For each combination, the configuration details include Data Parallelism (DP), Tensor Parallelism (TP), Pipeline Parallelism (PP), Gradient Accumulation Steps (GAS), Micro Batch Size (MBS), and ZeRO optimization stage. The color intensity indicates the Model FLOPs Utilization (MFU), with brighter colors representing higher efficiency.

To complement this, let's look at the relationships between different parameters:

Parallel coordinates plot showing the relationship between different model parallelism configurations (Data Parallel degree, Tensor Parallel degree, Pipeline Parallel degree), training hyperparameters (gradient accumulation steps, micro batch size), ZeRO stage and the resulting Model FLOPs Utilization (MFU). Each line represents a different training configuration, with colors indicating the MFU value - warmer colors show higher efficiency.

From these visualizations, we can draw several important insights:

  1. As we increase the number of nodes (higher parallelism), we observe a decrease in efficiency. This effect is particularly pronounced for smaller models, which have a lower compute-to-model-size ratio. While we might typically compensate for small model size by increasing the batch size, we're constrained by our global batch size limit of 1M.
  2. Larger models present a different challenge. As model size increases, memory requirements grow substantially. This creates two scenarios with fewer nodes: either the model doesn't fit at all, or it barely fits but runs inefficiently due to operating near the GPU memory limits.
  3. Our benchmarks demonstrate how performance heavily depends on implementation quality. When we first implemented both parallelism strategies, Tensor Parallelism (TP) outperformed Pipeline Parallelism (PP). After optimizing our PP code, it became the faster option. Now that we're improving the communication overlap in our TP implementation, we expect it to regain the performance lead.

These findings highlight the challenges of reproducing theoretical results in practice, especially given the limited availability of production training code. Through open-source projects like picotron and nanotron, we hope to make these distributed training techniques more accessible and foster collaboration on simpler, more efficient codebases that help researchers and practitioners make the most of their hardware resources.

What’s next?

You should have a good overview of all the distributed training concepts but there are still things to learn and details we couldn’t cover. To get deeper in the field we recommend doing some of the following steps:

We hope this blog helps you get started in distributed training or helps you to better understand methods that you may already be applying by using some distributed training frameworks.

References

Landmark LLM Scaling Papers

Megatron-LM

Introduces tensor parallelism and efficient model parallelism techniques for training large language models.

Megatron-Turing NLG 530B

Describes the training of a 530B parameter model using a combination of DeepSpeed and Megatron-LM frameworks.

PaLM

Introduces Google's Pathways Language Model, demonstrating strong performance across hundreds of language tasks and reasoning capabilities.

Gemini

Presents Google's multimodal model architecture capable of processing text, images, audio, and video inputs.

DeepSeek-V3

DeepSeek's report on architecture and training of the DeepSeek-V3 model.

Training Frameworks

FairScale

PyTorch extension library for large-scale training, offering various parallelism and optimization techniques.

Megatron-LM

NVIDIA's framework for training large language models with model and data parallelism.

DeepSpeed

Microsoft's deep learning optimization library featuring ZeRO optimization stages and various parallelism techniques.

ColossalAI

Integrated large-scale model training system with various optimization techniques.

torchtitan

A PyTorch native library for large model training.

GPT-NeoX

EleutherAI's framework for training large language models, used to train GPT-NeoX-20B.

LitGPT

Lightning AI's implementation of state-of-the-art open-source LLMs with focus on reproducibility.

DiLoco

Training language models across compute clusters with DiLoCo.

Debugging

Speed profiling

Official PyTorch tutorial on using the profiler to analyze model performance and bottlenecks.

Memory profiling

Comprehensive guide to understanding and optimizing GPU memory usage in PyTorch.

TensorBoard Profiler Tutorial

Guide to using TensorBoard's profiling tools for PyTorch models.

Distribution Techniques

Data parallelism

Comprehensive explanation of data parallel training in deep learning.

ZeRO

Introduces Zero Redundancy Optimizer for training large models with memory optimization.

FSDP

Fully Sharded Data Parallel training implementation in PyTorch.

Tensor and Sequence Parallelism + Selective Recomputation

Advanced techniques for efficient large-scale model training combining different parallelism strategies.

Pipeline parallelism

NVIDIA's guide to implementing pipeline parallelism for large model training.

Breadth first Pipeline Parallelism

Includes broad discussions around PP schedules.

All-reduce

Detailed explanation of the ring all-reduce algorithm used in distributed training.

Ring-flash-attention

Implementation of ring attention mechanism combined with flash attention for efficient training.

Ring attention tutorial

Tutorial explaining the concepts and implementation of ring attention.

ZeRO and 3D

DeepSpeed's guide to understanding tradeoffs between ZeRO and 3D parallelism strategies.

Mixed precision training

Introduces mixed precision training techniques for deep learning models.

Hardware

Fire-Flyer - a 10,000 PCI chips cluster

DeepSeek's report on designing a cluster with 10k PCI GPUs.

Meta's 24k H100 Pods

Meta's detailed overview of their massive AI infrastructure built with NVIDIA H100 GPUs.

Semianalysis - 100k H100 cluster

Analysis of large-scale H100 GPU clusters and their implications for AI infrastructure.

Others

Stas Bekman's Handbook

Comprehensive handbook covering various aspects of training LLMs.

Bloom training chronicles

Detailed documentation of the BLOOM model training process and challenges.

OPT logbook

Meta's detailed logbook documenting the training process of the OPT-175B model.

Harm's law for training smol models longer

Investigation into the relationship between model size and training overhead.

Harm's blog for long context

Investigation into long context training in terms of data and training cost.

Appendix

Citation

For attribution in academic contexts, please cite this work as

XXX, et al., "The Ultra-Scale Playbook: Training LLMs on GPU Clusterse", 2025.

BibTeX citation

@misc{TODO,
      title={The Ultra-Scale Playbook: Training LLMs on GPU Clusters},
      author={TODO},
      year={2025},
}