[gmx-developers] Code exploration

[Mahmood Naderan]

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



Regards,
Mahmood 

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