Thank you Sir,
initially i was running on 60 threads, now i changed it to 100. simulation
is running with out any error, but i found a note in the log file as fallows
#nodes mismatch,
current program: 100
checkpoint file: 60
#PME-nodes mismatch,
current program: -1
checkpoint file: 12
Gromacs binary or parallel settings not identical to previous run.
Continuation is exact, but is not guaranteed to be binary identical.
Initializing Domain Decomposition on 100 nodes
is it a good idea to continue or shall i stick with 60 threads.
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