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

[Artem Shekhovtsov]

Hi,

Thanks, setting this variable allowed me to start GROMACS without errors
using the CPU.
The problem is that this method prevents me from using other free GPUs on
the host, but I would like to do this.
I also found out that setting the CUDA_VISIBLE_DEVICE variable to available
GPUs at the time of launch allows us to solve this problem.

Artem


On Sat, Oct 26, 2019 at 1:50 AM Szilárd Páll <pall.szilard at gmail.com> wrote:

> 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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