LMS
Home
Members
Workshops
CHEM658
CHEM242
Publications
Supercomputers
Utilities
UNIX help

Software
ADF ADF-BAND
AMBER
AOMix
AMPAC
Cerius2
CHARMm
CRYSTAL
Dalton
Discovery Studio
Gaussian
GaussView
Grasp
InsightII
Macromodel
Materials Studio
Molden
MOLPRO
MOLEOnline
NAMD
Pymol
Q-Chem
Quanta
SPOCK
TINKER
Other Software

Page updated on
Sep 22 2009
Web page created
on a Mac and powered by Linux
Laboratory for Molecular Simulation
Director: Michael B. Hall Manager: Lisa M. Pérez
Phone: (979) 845-9384Fax (979) 845-2971Rm. 2109 Chemistry
e-mail: mouse@mail.chem.tamu.edu

Department of Chemistry Supercomputers

MEDUSA

Medusa Account Application Form

Medusa and her sister machines, Euryale and Stheno, were purchased with funding from NSF (Award 0541587)

Medusa is the head-node for a cluster of 3 64-core Altix 450 machines.

System Configuration:

192 cores with 384GB of memory as a cluser of 3 64-core Altix 450 machines with 128GB memory each and Itanium2 Montecito dual core cpus housed in two tall racks and connected via gigabit ethernet. All three machines are running SUSE Linux Enterprise 10 with SGI ProPack 5 and the PBSPro queueing system.

medusa: Login-node with 64-core, 128GB of memory and 900GB of 10K rpm SAS scratch space. 16-core are reserved for interactive jobs.
euryale:64-core, 128GB of memory and 900GB of 10K rpm SAS scratch space.
stheno:64-core, 128GB of memory and 876GB of 15K rpm SAS scratch space.

Compilers and Libraries Installed on Medusa
Compilers Version
C++ 10.0.023
C++ 9.1.049
C++ 9.1.047
Fortan 10.0.023
Fortan 9.1.045
Fortan 9.1.043
 
Libraries Version
FFTW 3.1.2
MKL 9.1.18
MKL 9.0.18
NetCDF 3.6.2


Programs Installed on Medusa
Program Documentation
AMBER 9 http://amber.scripps.edu/
AMPAC 9 http://www.semichem.com/
CRYSTAL 06 http://www.crystal.unito.it/
Gaussian 03 http://www.gaussian.com/
GaussView http://www.gaussian.com/
Molden 4.6 http://www.cmbi.ru.nl/molden/molden.html
MOLPRO 2006 http://www.molpro.net/
VMD http://www.ks.uiuc.edu/Research/vmd