[gmx-users] GPU problem with running gromacs.2018

[Szilárd Páll]

Please provide a full log file output.
--
Szilárd


On Thu, Feb 15, 2018 at 6:11 PM, Osmany Guirola Cruz
<osmany.guirola at biocomp.cigb.edu.cu> wrote:
> Hi
>
> I am having problems running mdrun command compiled with GPU
> support(cuda 9.0).
> here is  the output of the mdrun command....
>
> ........
> Using 1 MPI thread
> Using 4 OpenMP threads
>
> 1 compatible GPU is present, with ID 0
> 1 GPU auto-selected for this run.
> Mapping of GPU ID to the 1 PP rank in this node: 0
>
>
> WARNING: Just caught a previously occurred CUDA error (no kernel image
> is available for execution on the device), will try to continue.
>
>
> -------------------------------------------------------
> Program:     gmx mdrun, version 2016.4
> Source file: src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu (line 740)
>
> Fatal error:
> cudaFuncSetCacheConfig failed: invalid device function
>
> For more information and tips for troubleshooting, please check the
> GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> ...............
>
>
> Thanks.
> Osmany
>
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