[gmx-users] Profiling mdrun with GProf

[Mark Abraham]

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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