[gmx-developers] Code exploration

Mahmood Naderan nt_mahmood at yahoo.com
Sat Aug 18 12:04:36 CEST 2018

Still I am not sure if I am in the right direction. Any guess?


    On Sunday, July 29, 2018, 3:59:13 PM GMT+4:30, Mahmood Naderan <nt_mahmood at yahoo.com> wrote:  
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 


Am I right?

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