AMBER Archive (2007)

Subject: AMBER: Beowulf cluster from PSSC Labs

From: Aaron Greenwood (agreenwo_at_uci.edu)
Date: Tue Oct 23 2007 - 11:22:33 CDT


We purchased a Beowulf cluster from PSSC Labs with the following
pertinent characteristics.

2 each: AMD Opteron Rev F. 1216 Dual Core Processors (64 bit)
8 GB Memory
Fedora Core 4 9.0
Intel Fortan 9.0
Intel C 9.0
Intel MKL 9.1
MPICH 1.2.7p1

There are just too many errors to compile amber 9.

We have amber 8 running on a 32 bit OCSAR cluster compiled using the
same compilers and mkl libraries. This cluster is going out of service.

amber8 will compile as long as I don't use the MKL libraries. The test
programs run ok. Amber 8 scripts used on the other cluster do run with
amber 8 compiled on this system. (The MKL problem is the least of my
worries)

I have searched the mail archives for solutions and it seems that many
of the problems I am experiencing others have also. Unfortunately,
either no solution was offered for the given problem or the solution
offered does not fit my case.

What I am asking is this. Has anyone successfully installed amber 8 on
a PSSC Labs or equivalent cluster? If so would you be willing to accept
email questions from me as I try to get amber 8 up and running.
Comments from others using a Beowulf cluster from PSSC Labs are
especially welcome.

Best regards,

Aaron

-- 

Aaron Greenwood Systems Administrator McPherson/Poulos Groups University of California Irvine, CA 92697

Office: 9327 Battle Creek Street NW Albuquerque, NM 87114 Home Tele: 505.890.8218 Cell: 951.818.0594 agreenwo_at_uci.edu greenwood_at_abqnorthwest.com http://crystal.bio.uci.edu/agreenwo

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