[gmx-users] Mdrun_mip efficiency

Андрей Гончар gontchar at gmail.com
Tue May 21 19:15:43 CEST 2013

Hello. I have a cluster (12 nodes, 24 cores on each).  Also I've compiled
mdrun with MPI.
Now when I try to run a MD on this cluster, it takes near 20 hours to
complete. But when I try the same simulation on a PC with 8 cores, it takes
near 10 hours to complete. I thought that it will take less on cluster but
I see the opposite. What I'm doing wrong?

Andrew Gonchar
Андрей Гончар

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