[gmx-users] Profiling mdrun with GProf

Dave Michael dm.cid.lab at gmail.com
Tue Nov 17 11:55:14 CET 2015


I need some help with using gprof and mdrun.

Here's a short story of what I've tried so far:
- a bunch of other tools (perf, zoom, valgrind) - not quite what I was
looking for
- settled on GProf (and I want to count ALL function calls)
- compiled the code with the "Profile" option
- reduced -O3 to -O0 and had some success here (but some things are still

Can someone help me out?

Also, where are the compiler flags store (i.e. where can I specify a
no-inline option)?


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