[gmx-users] not guaranteed to be binary identical ?

[Yun Shi]

Hi all,

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:

  #nodes mismatch,
    current program: 72
    checkpoint file: 48

  #PME-nodes mismatch,
    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!
Yun

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