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

[Szilárd Páll]

Hi,

This is an issue in one of pre-detection checks that trips due to
encountering exclusive / prohibited mode devices.

You can work around this by entirely disabling the detection using the
GMX_DISABLE_GPU_DETECTION environment variable.

Cheers,
--
Szilárd


On Thu, Oct 17, 2019 at 5:01 PM Artem Shekhovtsov <job.shekhovtsov at gmail.com>
wrote:

> 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
> -------------------------------------------------------
> 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.
> --
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