[gmx-users] not guaranteed to be binary identical ?
yunshi09 at gmail.com
Mon Oct 10 22:27:29 CEST 2011
I am doing my MD simulations piece by piece, with -maxh and -noappend
options, so that I can link pieces of trajectories together afterward.
But as I did part0001 with 48 cores, and part0002 with 72 cores, the log
file told me that:
current program: 72
checkpoint file: 48
current program: -1
checkpoint file: 16
Gromacs binary or parallel settings not identical to previous run.
Continuation is exact, but is not guaranteed to be binary identical.
I do not quite understand what it really means by "binary identical"?
Would this affect my results? In other words, would using different # cores
for each part give me different conformational assembles from using the same
# cores each part?
Thanks for any help!
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