[gmx-users] GPU job failed

Albert mailmd2011 at gmail.com
Tue Sep 9 05:52:28 CEST 2014

thanks a lot for reply both Yunlong and Szilard.

I don't set up PBS system and nodes in the workstation. In the GPU 
workstation, it contains 1 CPU with 20 cores, and two GPUs. So it is 
similar to 1 nodes with 2 GPUs.

But I don't know why 4.6.5 works, but 5.0.1 doesn't .......

Thx again for reply.


On 09/08/2014 11:59 PM, Yunlong Liu wrote:
> Same idea with Szilard.
> How many nodes are you using?
> On one nodes, how many MPI ranks do you have? The error is complaining about you assigned two GPUs to only one MPI process on one node. If you spread your two MPI ranks on two nodes, that means you only have one at each. Then you can't assign two GPU for only one MPI rank.
> How many GPU do you have on one node? If there are two, you can either launch two PPMPI processes on one node and assign two GPU for them. If you only want to launch one MPI rank on each node, you can assign only one GPU for each node ( by -gpu_id 0 )
> Yunlong

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