GROMACS version:2020.3
GROMACS modification: No
Hi! All,
I have been trying protein-Complex tutorial. Everything went on smooth untill the MD run
gmx mdrun -deffnm md_0_10
got the error as below:
Source file: src/gromacs/gpu_utils/cudautils.cuh (line 260)
Fatal error:
Unexpected cudaStreamQuery failure: unspecified launch failure
I have installed cuda 10.2 for my GPU ( Quadro P620) on Ubuntu 18.04
NVIDIA driver version: 440.33.01
I don’t think it is a problem with gromacs, as i could run the equilibration NVE and NPT, but unable to run only the MD run. I wonder if it is the problem with cuda
Thanks in advance