Quoting Jussi Lehtola <jussi.leht...@helsinki.fi>:
On Wed, 2009-02-04 at 18:01 -0200, Alexandre Suman de Araujo wrote:
Quoting Jussi Lehtola <jussi.leht...@helsinki.fi>:
> That's highly unlikely: it would be a severe performance bug, which
> would have been picked up by the kernel packager.
>
> How did you configure the parallel version? What MPI environment
did you use?
First I used Ubuntu binary packages for Gromacs (3.3.2) and LAM-MPI. After I
compiled both with Intel C and Fortran 11.0 compilers.
In both cases (binary and compiled), the performed is basicaly the same.
In further tests I compiled the Gromacs 4.0 and, again, the performance
was the
same.
Please keep the discussion on the list.
Sorry. It was not my intention to open a private contact with you.
Try compiling against OpenMPI (or using the binary compiled against it).
LAM has been deprecated for many years, and should not be used anymore.
Ok. I used LAM because it is recommended in GROMACS documentation, but
I´ll try
OpenMPI.
Also, is your system big enough to allow efficient scaling?
Yes. It scales at 100% in an OpenSuse box with equivalent hardware
configuration
--
------------------------------------------------------
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.leht...@helsinki.fi, p. 191 50632
------------------------------------------------------
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.leht...@helsinki.fi
------------------------------------------------------
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Best Regards
--
Alexandre Suman de Araujo
Instituto de Física de São Carlos
Universidade de São Paulo
São Carlos - Brasil
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