[gmx-users] running parallel simulations on different of cores

Muthukumaran R kumaran at bicpu.edu.in
Sat Apr 19 19:33:07 CEST 2014


Dear gromacs users,
I have been working on gromacs package for performing md simulations.
recently i have started using cluster with 2 nodes with 64 cores each.
I am eager to know whether a job run on 32 cores for few ns and later i
continue the same job on 64 cores (or vice versa),  will show any
difference in the results in terms of energies or the  conformational
changes.

thanks in advance


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