[gmx-users] problems for GPU simulations
mailmd2011 at gmail.com
Thu Feb 7 11:21:43 CET 2013
On 02/07/2013 11:03 AM, James Starlight wrote:
> Hi Albert!
> As I understood your correctly you have run simulations with your 2
> GPU cards on Gromacs-beta but could not do it with final version
> havent it?
not really. both versions could run with GPU. The 4.6 beta recognize my
number of GPU as 4, but final version as 2. And the efficiency for beta
is double comparing with final version.
> Could you tell me how you installed both GPU in your work-station?
> Have you used SLI ? ( I've heard that gromacs is not suported the
> simulation in multi-GPU regime so I'll be very happy if it's not true
both GPU version were compiled with the same command:
cmake .. -DGMX_MPI=ON -DCMAKE_CXX_COMPILER=/soft/openmpi-1.4.3/bin/mpiCC
I don't think I used SLI
> Also could you tell me about configuration of your workstation in more
> detailes ? ( what cpu and mb you use ? )
there are 16 GB for the memory, I've got intel I7-960 for the
workstation. I don't specify how many core should be used, but both
cases occupy full CPU resources automatically.
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