Le 21/04/2016 03:54, treinz a écrit :
Hi,


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
Thanks,
Tim

Hi all,

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:

http://www.steletch.org/spip.php?article89

The driver version was very close from the drivers included in the default ubuntu 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).

HTH,

Stéphane

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