With DCGrid, SDSC researchers were able to automate a large quantity of strategic, high-throughput calculations, which allowed them to use the more accurate GAMESS
code on a wider range of molecular systems than would have been possible on other platforms.
Amber, BLAST(R), FASTA(TM) (Smith- Waterman), GAMESS
US, Gaussian(R), HMMER, and NAMD are among the many widely used computational chemistry and computational biology software tools that are available for use on the SGI(R) Altix(R) family of 64-bit servers and superclusters, a testimony to the rapidity with which Altix has been embraced by the life and chemical sciences community.
Air Force Research Laboratory (AFRL); GAMESS
, a popular general ab initio quantum chemistry package maintained by the members of the Gordon research group at Iowa State University; and STAR-CD, a leading computational fluid dynamics code distributed by Adapco.
PGI compilers and tools are highly optimized for 64-bit AMD Opteron processors, and are used to build many of the most popular engineering and scientific applications including MM5, MOLPRO, WRF, POP, GAMESS
, and others.
During SC03, approximately 25 percent of RockStar will be dedicated to a long-running GAMESS
simulation and attendees will be able to monitor its progress during the week.
It is a fully-functioning application providing a graphical user interface to run these calculations within the well-known GAMESS
(General Atomic and Molecular Electronic Structure System) chemical program, developed and maintained by Professor Mark Gordon's group at Iowa State University.
quantum chemistry and biomedical applications (CHARMM, GAMESS