[gmx-developers] Code exploration
Mahmood Naderan
nt_mahmood at yahoo.com
Sun Jul 29 13:29:23 CEST 2018
Hi,
I would like to explore the code to inject some custom profiling routines. As I see the output, I see
step 1800: timed with pme grid 60 80 60, coulomb cutoff 1.037: 2793.4 M-cycles
optimal pme grid 60 80 60, coulomb cutoff 1.037
NOTE: DLB can now turn on, when beneficial
step 6900, remaining wall clock time: 29 s imb F 3%
So, where in the code, such a switch happens? I mean the code which is run after the calculation of optimal pme. I think the location is
src/gromacs/ewald/pme-load-balancing.cpp:continue_pme_loadbal()::continue_pme_loadbal()
Am I right?
Regards,
Mahmood
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