Compilation error:

GROMACS version: 2020.4
GROMACS modification: No
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Dear All,

I had encountered a problem while doing the “quick and dirty installation”.

[ 76%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o
/Users/AT/gromacs-2020.3/src/gromacs/mdlib/shake.cpp:237:10: error: no member named ‘qsort’ in namespace ‘std’
std::qsort(sb, ncons, sizeof(*sb), pcomp);

1 error generated.

Then the compilation was aborted abruptly.

May I know how to solve this issue?

Thank you for any suggestions.


Hi Tiong, find a hint on how to work around the issue here, while I check if this has been reported as a bug…

Seems like this is an issue in the code, find the bug report where you can follow the issue here

If you can, adding more information (what settings / software did you use to compile) aids in solving the issue more rapidly.

Until this is solved, using gcc should circumvent the issue.

Can you please try to add #include <cstdlib> to src/gromacs/mdlib/shake.cpp and check whether this fixes it?