[gmx-users] Profiling mdrun with GProf

[Dave Michael]

I'm not interested in any performance and/or any time-domain profiling.
Please just answer my questions without any additional comments.
I just want to get the exact name of the functions called in a mdrun on a
particular simulation and the exact number of times it gets called.

On Tue, Nov 17, 2015 at 1:27 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> On Tue, Nov 17, 2015 at 11:55 AM Dave Michael <dm.cid.lab at gmail.com>
> wrote:
>
> > Hi,
> >
> > I need some help with using gprof and mdrun.
> >
>
> To what end? Note that the end of the .log file provides a very rough
> profile already.
>
>
> > 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
> > missing)
> >
>
> A profile not at -O3 is of zero value.
>
>
> > Can someone help me out?
> >
> > Also, where are the compiler flags store (i.e. where can I specify a
> > no-inline option)?
> >
>
> CMake has various compiler-flag options you can play with (e.g. try the
> advanced mode of ccmake). But all that you will observe is that the
> functions that are no longer inlined should have been, because we make
> extensive use of inlined functions in performance-critical kernels.
>
> Mark
>
>
> > Dave
> > --
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