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

Osmany Guirola Cruz osmany.guirola at biocomp.cigb.edu.cu
Thu Feb 15 18:17:14 CET 2018


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
website at http://www.gromacs.org/Documentation/Errors


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