[gmx-users] Fatal Error when launching gromacs 2019.2 on GPU.

[Artem Shekhovtsov]

Hello!
Problem: The launch of mdrun that does not require video cards exit with
fatal error if at least one video card is busy on the host at that time.
gmx mdrun -deffnm test -ntmpi 1 -ntomp 1 -nb cpu -bonded cpu
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Program:     gmx mdrun, version 2019.2
Source file: src/gromacs/gpu_utils/gpu_utils.cu (line 100)

Fatal error:
cudaFuncGetAttributes failed: all CUDA-capable devices are busy or
unavailable

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------

I have this error in gromacs version 2019.2, 2019.3, 2020.beta.
Version - 2018.6 is not affected.
All version builds with the same flags.

Archive with log files and gromacs build files
https://drive.google.com/file/d/1ahn7S69CU5yvAPlLWHryXmMzcGfdWVxP/view?usp=sharing


I would appreciate any help.

Thanks,
Artem Shekhovtsov.