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

[Szilárd Páll]

PS: Also, what you pasted in here states "2016.4", but your subject
claims version 2018
--
Szilárd


On Thu, Feb 15, 2018 at 6:23 PM, Szilárd Páll <pall.szilard at gmail.com> wrote:
> 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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