[gmx-users] Running GPU issue

[Mark Abraham]

Hi,

I expect that that warning is fine (for now).

The error you saw is clear evidence of a bug. There's a few things you
might try to help narrow things down.
* Is the error reproducible on each run of mdrun?
* 2018.3 was not designed or tested on CUDA 10, which was released rather
later. If you have an earlier CUDA, please see if building with it
alleviates the error
* The error message could be triggered by multiple parts of the code; what
do you get with mdrun -nb gpu -pme cpu?
* Do you get any more diagnostics from running with a build with cmake
-DCMAKE_BUILD_TYPE=Debug?

Mark

On Wed, Nov 14, 2018 at 1:09 PM Kovalskyy, Dmytro <Kovalskyy at uthscsa.edu>
wrote:

> I forgot to add. While compiling gromacs I got following error at the very
> beggining:
>
>
> [  3%] Built target gpu_utilstest_cuda
> /usr/local/tmp/gromacs-2018.3/src/gromacs/gpu_utils/gpu_utils.cu: In
> function ?int do_sanity_checks(int, cudaDeviceProp*)?:
> /usr/local/tmp/gromacs-2018.3/src/gromacs/gpu_utils/gpu_utils.cu:258:28:
> warning: ?cudaError_t cudaThreadSynchronize()? is deprecated
> [-Wdeprecated-declarations]
>      if (cudaThreadSynchronize() != cudaSuccess)
>                             ^
> /usr/local/cuda/include/cuda_runtime_api.h:947:46: note: declared here
>  extern __CUDA_DEPRECATED __host__ cudaError_t CUDARTAPI
> cudaThreadSynchronize(void);
>
>
> But make has completed its job without falling down.
>
>
>
>
> ________________________________________
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Mark
> Abraham <mark.j.abraham at gmail.com>
> Sent: Tuesday, November 13, 2018 10:29 PM
> To: gmx-users at gromacs.org
> Cc: gromacs.org_gmx-users at maillist.sys.kth.se
> Subject: Re: [gmx-users] Running GPU issue
>
> Hi,
>
> It can share.
>
> Mark
>
> On Mon, Nov 12, 2018 at 10:19 PM Kovalskyy, Dmytro <Kovalskyy at uthscsa.edu>
> wrote:
>
> > Hi,
> >
> >
> >
> > To perform GPU with Gromacs does it require exclusive  GPU card or
> Gromacs
> > can share the video card with X-server?
> >
> >
> > Thank you
> >
> >
> > Dmytro
> > --
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