[gmx-users] cudaFuncGetAttributes failed: out of memory

[bonjour899]

Hello,


I have encountered a weird problem. I've been using GROMACS with GPU on a server and always performance good. However when I just reran a job today and suddenly got this error:



Command line:

gmx mdrun -deffnm pull -ntmpi 1 -nb gpu -pme gpu -gpu_id 3　

Back Off! I just backed up pull.log to ./#pull.log.1#

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Program: gmx mdrun, version 2019.4

Source file: src/gromacs/gpu_utils/gpu_utils.cu (line 100)

　

Fatal error:

cudaFuncGetAttributes failed: out of memory

　

For more information and tips for troubleshooting, please check the GROMACS

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

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It seems the GPU is 0 occupied and I can run other apps with GPU, but I cannot run GROMACS mdrun anymore, even if doing energy minimization.