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Computational Resources


Computers dedicated to the Jordan group


The following computers are dedicated to the Jordan group:

  • Six 2-processor Opteron computers
  • Six 4-processor Opteron computers
  • Three 8-CPU IBM p655 power4+ computers
  • Three 2-CPU Athlon computers
  • One 8-CPU Xeon Cluster

The first three of these clusters are accessed via CMMS servers and are described below together with the CMMS hardware.


Center for Molecular and Materials Simulations


CMMS houses several computer clusters, including a 180 processor Opteron Cluster connected via gigabit Ethernet, three 8-CPU IBM p655 power4+ computers, a 20 processor Athlon cluster and a 32 processor Pentium cluster, both connected via 100 Mbps Ethernet.  All of these computers are available for use by our group.

A brief summary of the CMMS computers as well as those computers dedicated to the Jordan group, but accessed via CMMS servers, are listed below.


Opteron Cluster


Node               usage                queue               (CPU, memory, scratch)           OS



n001-n032       CMMS            small_IO          (Opt. 250, 1GB, 58 GB)          Suse 9.1

n033-n064       CMMS            small_IO          (Opt. 250, 1GB, 58 GB)          Suse 9.1

n065-n080       CMMS            big_IO             (Opt. 252, 5GB, 120 GB)        Suse 9.1

n081, n083       Jordan              jordan  (Opt. 250, 1GB, 58 GB)                      Suse 9.3

n082                CMMS            server               (Opt. 250, 1GB, --------)        Suse 9.1

n084-n088       CMMS            cmms_dc          (Opt. 275, 4GB, 58 GB)          Suse 10

n089-n094       Jordan              jordan_dc         (Opt. 275, 4GB, 58 GB)          Suse 10

n095                Coalson            coalson (Opt. 275, 4GB, 58 GB)          Suse 10

n096                Jordan              jordan_250      (Opt. 240, 6GB, 60 GB)          Suse 9.3

n097-n099       Jordan              jordan_250      (Opt. 246, 4GB, 97 GB)          Suse 9.3


CPU speeds: 275 - 2.2 Ghz (dual-core),250 - 2.4 Ghz, 246 -2.0 Ghz, 240 -1.4 Ghz


The cmms_dc and jordan_dc queues are limited to parallel jobs requiring 4 or more CPUs.


The big_IO queues should, whenever possible, be restricted to large I/O jobs, although they may be used for other jobs if the other queues are saturated.


IBM p655 Cluster


To be added.

Kenneth D. Jordan
Dept. of Chemistry, University of Pittsburgh,
219 Parkman Avenue, Pittsburgh, PA 15260
Phone: (412) 624-8690     FAX: (412) 624-8611     email: jordan at
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