[gmx-developers] Running Gromacs on GPUs on multiple machines
andgab at kth.se
Thu May 29 16:36:07 CEST 2014
You'll probably have to supply -npernode/-ppn too so that your mpirun doesn't put all MPI ranks on the same host.
On 29 May 2014, at 13:17, Vedran Miletić <rivanvx at gmail.com<mailto:rivanvx at gmail.com>> wrote:
Incorrect launch configuration: mismatching number of PP MPI processes
and GPUs per node.
mdrun_mpi was started with 5 PP MPI processes per node, but you provided 1 GPU.
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