running Amber on dual processor machine

From: <>
Date: Wed 21 Feb 2001 13:24:07 -0600


I hope you can help me out with the following:
I have a problem running Sander on a Machine running Linux (Redhat v.7).
The Machine has a dual pentium III 1GHz processors on an Abit VP6 dual
processor mother board.

The problem is that whenever I invoke a Sander calculation it only uses
half of the processing power (that is, both processors don't work at full
capacity and they only work to a total of approx. 1GHz combined). What is
interesting is that when I launch two Sander calculations, then the two
processors work at full capacity (approx. 2GHz is used).

I would truly appreciate any help or suggestions you can provide me so that
I can run a single Sander calculation utilizing the full power of both

Note that when compiling amber I used either machine.g77 or
machine.g77_mpich and that didn't make a difference.

The machine configuration I am using according to uname -a are:
Linux localhost.localdomain 2.2.16-22smp #1 SMP Tue Aug 22 16:39:21 EDT
2000 i686 unknown

Hatim Allawi
Received on Wed Feb 21 2001 - 11:24:07 PST
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