GPU-Util is 0, but high GPU Memory Usage

[Yanyan Zhang]

Dear All

When running the GPU version of CP2K in MPI and multiple GPUs, I find that the GPUs just work about 10s and then all "GPU-Util" change to 0, but high GPU Memory Usage. Althought the calculation continues, it is very slow.

I suffer the problem after restart my computer. Before that the GPUs could work normally. And I have tried to reinstall the NVIDIA driver and CP2K, the problem still exists.

CP2K version:8.2

NAVIDIA: Tesla K80

Could anyone give me some advices? 

Thanks in advance and regards,

Yanyan

[Yanyan Zhang]

It is because the mpirun setting had been changed. I tried another mpirun, it can work normally.