AMBER Archive (2004)

Subject: Re: AMBER: sander and mpich (which compilers/mpich work)

From: Jerry Grooms (grooms_at_uky.edu)
Date: Fri Jan 30 2004 - 17:00:22 CST


Thomas Exner (thomas.exner_at_uni-konstanz.de) writes:

> Has anyone else experienced these problems and is there a way
> around them expect using only the serial version? Thank you
> very much.

We are recently seeing the exact same thing on a SuSE 8.2 system
using gcc 3.3 and mpich 1.2.5. I was going to try a different
compiler and see if that helps (Portland or Intel).

Your reports of Redhat 8/9 working ok surprise me a little as the
Amber web site indicates observed problems there, also.

http://amber.scripps.edu/cluster_info/index.html

Hopefully, it's a matter of getting the right combination of
compiler and mpich. I'll let you know if we get something
that works.

Jerry

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