[gmx-users] Gromacs running on single PC with GPU?

RJ rajiv at kaist.ac.kr
Thu Apr 2 06:10:54 CEST 2015

Dear gmx

I have PC has 16 processor with GTX460 where i complied successfully by following the gmx procedure. 
When i run gmx mdrun, it does detects my gpu but i wonder whether its taking for calculation or not ?

Here i get this info while running mdrun

Using 1 MPI thread
Using 16 OpenMP threads 

1 GPU detected:
  #0: NVIDIA GeForce GTX 460, compute cap.: 2.1, ECC:  no, stat: compatible

1 GPU auto-selected for this run.
Mapping of GPU to the 1 PP rank in this node: #0

Its much appreciated if you can give hint on this. Thanks a lot

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