[gmx-users] VSMP cluster performance changes with time

Anupam Nath Jha anupam at mbu.iisc.ernet.in
Thu Aug 18 13:38:46 CEST 2011

Dear all

I am running a MD (Gromacs - 4.5.3) in VSMP cluster with 24nodes.

I am writing log files for different ns (1-10) in different files i.e. different
files for each nano second . The performance goes like following:

for 1st ns:

               (Mnbf/s)   (GFlops)   (ns/day)  (hour/ns)
Performance:   1444.719     85.902      3.946      6.082
Finished mdrun on node 0 Tue Aug 16 21:46:02 2011

at 2nd ns:

                (Mnbf/s)   (GFlops)   (ns/day)  (hour/ns)
Performance:    560.393     33.322      1.531     15.679
Finished mdrun on node 0 Wed Aug 17 13:27:38 2011

and in case of 3rd ns:
 it didn't complete the all steps and went in next.

Is it the problem with the gromacs?


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