AMBER Archive (2000)

Subject: Amber6 on SGI with IRIX6.5

From: Grzegorz Jezierski (GJ_at_mol.mol.uj.edu.pl)
Date: Fri Oct 06 2000 - 09:56:51 CDT

Dear Amber users,

I'm trying to run an MD simulation on an SGI (R10000, no MPI
libraries installed, only MPICH), using a parallel version of sander
(ver. 6). The problem is that binaries do not run on more than one
processor. Recently, the system has been upgraded to IRIX 6.5
and I suppose there is a conflict with the Machine file. Before the
upgrade I had no problem with multiprocessor tasks.

Has anyone encountered this kind of problems? If yes, please let
me know and I will give details, as I've tried numerous libraries (eg.
mpi, mpich) as well as variations of the Machine file.

Thanks for any help

********************************
Grzegorz Jezierski

Biophysics Department
Institute of Molecular Biology
Jagiellonian University
al. Mickiewicza 3, 31-120 Krakow
ph.:(48 12)6341305 ext.291
e-mail: gj_at_mol.uj.edu.pl
********************************