Re: [gmx-users] About the configuration of Gromacs on multiple nodes with GPU

Hi, You can certainly use your hardware setup. I assume you've been looking at the log/console output based on which it might seem that mdrun is only using the GPUs in the first (=master) node. However, that is not the case, it's just that the current hardware and launch configuration reporting is

[gmx-users] About the configuration of Gromacs on multiple nodes with GPU

I'm running Gromacs 4.6.1 on 2 nodes with 3 GPUs(2 on host1,1 on host2, all nvidia K20c), and I'm using openMPI 1.6.4 to let Gromacs run parallel on 2 nodes. However, I found that Gromacs can only find the GPUs on the local node which it's launched, it can't automatically use the GPUs on the other