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
------------------------------------------------------


_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php


Best Regards

--
Alexandre Suman de Araujo
Instituto de Física de São Carlos
Universidade de São Paulo
São Carlos - Brasil


----------------------------------------------------------------
WEBMAIL - IFSC - Instituto de Física de São Carlos

_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to