[gmx-users] .log file documentaion

Nathan Moore nmoore at physics.umn.edu
Fri Jun 10 21:49:04 CEST 2005


I'd like to understand the output of the mdrun_d .log file more fully.  Is
full description of the output (when running mdrun w/ -v) available
online?  I can't seem to find discussion of this file in the paper manual.

Specifically, in an 8 processor parallel job (working on benchmark dpcc,
121856 atoms), does the following matrix provide a summary of the division
of labor (I note that 8*15232=121856)?

Nodeid   index  homenr  cgload  workload
     0       0   15232    7552      7552
     1   15232   15232   15104     15104
     2   30464   15232   22656     22656
     3   45696   15232   30208     30208
     4   60928   15232   37760     37760
     5   76160   15232   45312     45312
     6   91392   15232   52864     52864
     7  106624   15232   60416     60416

I'm guessing that the 3rd column (homenr) specifies the number of atoms
initially assigned to each processor - is that correct?  A reference
giving general summary of the .log output would be wonderful.

regards,

Nathan Moore





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