[gmx-users] about exchange replica with replicas 140
HZHANG020 at e.ntu.edu.sg
Thu May 22 04:54:02 CEST 2014
Dear gromacs user:
I have encounter a problem when used HPC(high performance computer) to run replica exchange. I find that when I used replica over 128, it will not work, while under 128 , it is ok, even when I used cores much more than 128(several cores for one replica). The version I used is gromacs-4.6.2-double-intel. Hope for you help.
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