MTU

Quick Peak

ROCKS NPACI ROCKS v.5.2.2
Red Hat Enterprise Linux v5.4

Front End:
Pentium 4 3.0GHz; 1GB RAM

Compute Nodes:
00-15: Dual Xeon 2.8GHz; 2GB RAM
16-23: Dual Xeon Dual Core 1.86Hz; 4GB RAM
24-31: Dual Xeon Quad Core 2.00Hz; 8GB RAM
note If you are having trouble with compiling programs, please send an email to
pandey-AT-mtu-DOT-edu

We may be able to help you out with makefile tips, etc.

Compilers & Libraries

  • GNU Compiler Collection
  • Intel Compilers v9.1.04x
  • Intel Cluster MKL v9.0.017
  • Intel MKL v8.0.1
  • PGI Cluster Dev Kit v6.0.2
  • MPICH1-2.7p1 (Intel)

Serial Suites

  • Crystal 2006
  • Crystal 2009
  • DMol3
  • Gaussian 98
  • Gaussian 03
  • GULP 3.1

Parallel Suites

  • SIESTA 1.3-f1p
  • SIESTA 2.0.1
  • SMEAGOL 1.0b
  • VASP 4.6.28
  • VASP 4.6.31
  • VASP 5.2.2
  • 2009.12.22

    vasp2xyz.sh - keep POSCAR & OUTCAR in same folder and run:

    vasp2xyz.sh OUTPUT_FILENAME

    Results in OUTPUT_FILENAME.xyz

  • 2009.12.10

    qstat and qu are working as before.

    qu [USERNAME]

    prints jobs being run by [USERNAME].

  • 2009.12.08

    SMEAGOL 1.0b [parallel version] recompiled and benchmarked. Please use getscript to generate batch submission script.

  • 2009.11.24

    CRYSTAL 2009 [serial version] available for use. Please use getscript to generate batch submission script.

  • 2009.11.05

    Gaussian 98/03 [serial] run-time issues have been resolved.

[More News Items] [RSS Feed]


The instructions [&/or steps, scripts, methods, &/or other information etc.] contained herein are intended for registered users of rama.phy.mtu.edu. They may very well work for your ROCKS cluster as well, with little &/or no modification. Please note that if you decide to use these instructions, you are doing so entirely at your very own discretion and that Michigan Technological University and users/systems administrators of rama.phy.mtu.edu are not responsible for any/all loss &/or damage - intellectual &/or otherwise.