[gmx-developers] CFLAGS for ppc, etc. with CMake

Roland Schulz roland at utk.edu
Thu Jul 1 03:21:56 CEST 2010

On Wed, Jun 30, 2010 at 8:31 PM, Shirts, Michael (mrs5pt) <
mrs5pt at eservices.virginia.edu> wrote:

> Just out of curiosity, what profiler are you using?  Just gprof?  Just
> interested in when I run my own profiling.

For this kind of profiling I like hpctoolkit (http://hpctoolkit.org/). It is
more similar to Shark (only for Mac) than gprof. It uses a sampling based
approach and can give you performance per line not only per function as with
gprof. It also can tell you flop count and cache misses per program line
(using PAPI). And it hardly has any overhead. The disadvantage is that it is
difficult to install.

For parallel profiling I use craypat (only for Cray), MPIP (only MPI),
Scalasca or Tau depending on what I want to look at.


> > If you are interested I can run it with profiling to see which code lines
> > cause the difference.
> ~~~~~~~~~~~~
> Michael Shirts
> Assistant Professor
> Department of Chemical Engineering
> University of Virginia
> michael.shirts at virginia.edu
> (434)-243-1821
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ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
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