GROMACS version: GROMACS 2018.7
GROMACS modification: No
Hi All, I have been running GROMACS 2018.7 with a TitanV GPU. I have an NVIDIA driver version 418.87.00 with a 10.1 CUDA version
I have been running my MDs with no problem,…but while I was running a simulations, using the GPU, it crashed with the following error
Fatal error:
Unexpected cudaStreamQuery failure: unespecified launch failure
when I tried to restart the simulation, gromacs failed to recognice the GPU, and I get the following note
NOTE: Detection of GPU failed. The API reported: Gromacs cannot run task on a GPU
I see that in the log file there is mismatch in the cuda driver and the cuda run time
When GROMACS loaded the GPU OK the log file indicated that
CUDA DRIVER: 10.10
CUDA RUNTIME: 10.10
But When GROMACS failed to loaded the GPU a mismatch appeared, since the log file showed that
CUDA DRIVER: 10.10
CUDA RUNTIME: 32.64
I do not know if this mismatch is to blaimed for the crash and subsequent failure to recognice the GPU, and if it is the cause of it, could someone give me a hint on how to fix it?
Thank in advance for your help!
Virginia.