[gmx-users] Performance values

Maureen Chew maureen.chew at oracle.com
Thu Jul 27 16:15:37 CEST 2017

Where is it documented how the mdrun performance metrics are calculated ? I’ve
looked here
http://manual.gromacs.org/documentation/2016/user-guide/mdrun-performance.html <http://manual.gromacs.org/documentation/2016/user-guide/mdrun-performance.html>
and here
http://manual.gromacs.org/documentation/2016.3/manual-2016.3.pdf <http://manual.gromacs.org/documentation/2016.3/manual-2016.3.pdf>

but seem to have missed  explanation.  

Are the sample mdrun times below user time or real time?  Generally, wall is real time
I understand that “Performance:” is not a linear scale but what is the scale
in the 2016.3 sample below?

              Core t (s)   Wall t (s)        (%)
       Time:    69761.050      272.504    25600.0
                 (ns/day)    (hour/ns)
Performance:        3.964        6.054



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