[gmx-users] gromacs 5.1.2 mdrun can't detect GPU
stephane.teletchea at univ-nantes.fr
Thu Apr 21 23:39:13 CEST 2016
Le 21/04/2016 03:54, treinz a écrit :
> Can you also explain why the function calls to cudaDriverGetVersion() and cudaRuntimeGetVersion() both return 0, as in
>>> >>CUDA driver: 0.0
>>> >>CUDA runtime: 0.0
As I already posted on the list, it seems the combination of gromacs +
cuda is tedious,
I had not time to dig it further, but wrote down what worked for me:
The driver version was very close from the drivers included in the
installation, nvidia-smi was working fine also, but gromacs was not able
to detect it.
Using the driver from the cuda toolkit solved the problem for me.
I only sent a mail on the mailing list, if I have time to dig further
I'll try to provide more
insight and a proper bug report. Up to now you can check if the driver
version is the one
expected from the cuda toolkit (nvidia-smi -a).
Assistant Professor in BioInformatics, UFIP, UMR 6286 CNRS, Team Protein Design In Silico
UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322 Nantes cedex 03, France
Tél : +33 251 125 636 / Fax : +33 251 125 632
More information about the gromacs.org_gmx-users