[gmx-users] problems for GPU simulations

Albert mailmd2011 at gmail.com
Fri Feb 8 16:10:15 CET 2013


  thanks for kind comments.
  It works fine now after I recompiled Gromacs carefully.


On 02/08/2013 03:43 AM, Szilárd Páll wrote:
> Hi,
> If you have two GTX 590-s four devices should show up in nvidia-smi and
> mdrun should also show four devices detected. As nvidia-smi shows only two
> GPUs means that one of your cards is not functioning properly.
> You can try to check what GPU devices does you operating system "see"
> independently form the driver using the lspci command, e.g:
> lspci | grep -i ".*VGA.*NVIDIA.*"
> If you see two PCI devices in this output that means that both cards are
> detected by the operating system. If nvidia-smi does not show all four
> GPUs, there must be something wrong with your driver.
> Cheers,
> --
> Szilárd

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