{"action":"opened","issue":{"url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/789","repository_url":"https://api.github.com/repos/QMCPACK/qmcpack","labels_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/789/labels{/name}","comments_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/789/comments","events_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/789/events","html_url":"https://github.com/QMCPACK/qmcpack/issues/789","id":317773459,"number":789,"title":"Strange behavior of the DMC trial energy","user":{"login":"jtkrogel","id":24547905,"avatar_url":"https://avatars3.githubusercontent.com/u/24547905?v=4","gravatar_id":"","url":"https://api.github.com/users/jtkrogel","html_url":"https://github.com/jtkrogel","followers_url":"https://api.github.com/users/jtkrogel/followers","following_url":"https://api.github.com/users/jtkrogel/following{/other_user}","gists_url":"https://api.github.com/users/jtkrogel/gists{/gist_id}","starred_url":"https://api.github.com/users/jtkrogel/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jtkrogel/subscriptions","organizations_url":"https://api.github.com/users/jtkrogel/orgs","repos_url":"https://api.github.com/users/jtkrogel/repos","events_url":"https://api.github.com/users/jtkrogel/events{/privacy}","received_events_url":"https://api.github.com/users/jtkrogel/received_events","type":"User","site_admin":false},"labels":[{"id":516230979,"url":"https://api.github.com/repos/QMCPACK/qmcpack/labels/bug","name":"bug","color":"ee0701","default":true}],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":0,"created_at":"2018-04-25T20:02:08Z","updated_at":"2018-04-25T20:02:08Z","closed_at":null,"author_association":"CONTRIBUTOR","body":"During a production Mira run with the most recent SoA version of the code I noticed large spikes/re-equilibration when identical DMC sections were run in series (no change in timestep).  This behavior appears to relate to how the trial energy is reset and it undesirable as it leads to unnecessary equilibration and waste of data.  I don't recall observing similar behavior in earlier versions of the AoS code (e.g. v3.1.1).\r\n\r\nThe last four sections of DMC data shown in the figures below use the same timestep (0.005/Ha) and each includes 10 warmup steps.  \r\n\r\nBehavior of the local energy.  Spikes are visible at the onset of each DMC section.  This is not visible for individual twists, but it is for the twist average.\r\n![local_energy](https://user-images.githubusercontent.com/24547905/39269716-96252212-48a1-11e8-9b56-d25e5497bfc5.png)\r\n\r\n\r\nBehavior of the trial energy.  The trial energy is apparently reset in a way that lacks continuity between the identical DMC sections.\r\n![trial_energy](https://user-images.githubusercontent.com/24547905/39269721-9c93237e-48a1-11e8-8b8e-995c24b12741.png)\r\n\r\n"}}
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