[gmx-users] Profiling mdrun with GProf

[Mark Abraham]

I answered the one actual question you asked ;-) I'm sorry I had to spend
my time guessing what your unstated intentions were, and what you thought
was "missing." :-) gprof can probably do that job, assuming that -O0 and a
no-inlining flag actually override source-code annotations for inlining.

Mark

On Tue, Nov 17, 2015 at 1:05 PM Dave Michael <dm.cid.lab at gmail.com> wrote:

> 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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