[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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