-- EricBohm - 14 Dec 2007

ORNL / NCCS Cray XT3/XT4 (jaguar):

• Isaac
• Hostname: jaguar.ccs.ornl.gov
• Size: 119TF peak 46TB memory 600TB scratch, 11706 processor nodes(each a 2.6Ghz dual core opteron. 11508 of these are compute nodes with 4GB of memory. The rest are service nodes with 8GB of memory
• Processor: Opteron
• Interconnect: Each node is connected to a Cray Seastar router through Hypertransport, and the Seastars are all interconnected in a 3D-torus topology
• Charm Version: mpi-crayxt3
• Interactive Shell: qsub -I -q debug -V -lsize=2,walltime=20:00 -A CSC025nsf
• Run with something like: yod ./pgm
• Example Build Command: ./build charm++ mpi-crayxt3 gcc4 -O
• I used the folowing modules("module list", "module avail", "module add") to build with gnu compilers(which are faster with NAMD)
  • modules/3.1.6
  • xt-catamount/1.5.52
  • MiscApps?
  • xt-boot/1.5.52
  • totalview/8.0.2-0
  • xt-crms/1.5.52
  • mts/0.1
  • xt-lustre-ss/1.5.52
  • DefApps?
  • Base-opts/1.5.52
  • torque/2.2.0-snap.200701181022
  • acml/3.6
  • moab/5.1.0
  • gcc/4.2.0
  • iobuf/1.0.5
  • xt-libsci/1.5.52
  • MySQL?/4.0.27
  • xt-mpt-gnu/1.5.52
  • xt-service/1.5.52
  • xt-pe/1.5.52
  • xt-libc/1.5.52
  • PrgEnv?-gnu/1.5.52
  • xt-os/1.5.52
  • fftw/2.1.5
• To build NAMD use a version of fftw2 configured with --host=x86_64-unknown-linux-gnu