Computer Clusters
Our three Our five clusters are DariusXerxes, Darius2, Darius1, Cyrus1, and Quantum2. See below for additional information. For information about using Gaussian at MIT, see below.
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Darius
Darius1
Hostname: darius1.csbi.mit.edu
Darius1 is a 35-node cluster, installed April 2010. Darius is our newest cluster, with 32 computational nodes, each with two quad-core processors. Information about Darius can be found on its dedicated page.
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Usage: /home/gpw501/software/gamess/rungms JOB VERNO NCPUS >& JOB.log &
JOB is the name of JOB.inp file to be executed
VERNO is the current version of gamess (01 at the time of writing)
NCPUS number of cpus
you must make a scratch directory that matches your user name on the
node you are running from i.e. /scratch/$USER
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Usage: mpirun -n NCPUS cpmd.x JOB PATH-TO-PPs >& JOB.out &
mpirun should be set to /opt/openmpi/tcp-gnu/bin/mpirun in your .bashrc
NCPUS number of cpus
JOB name of job file to be executed
PATH-TO-PPs the path to a pseudo potential library (see for eg /home/gpw501/software/cpmd/pseudos/ )
JOB.out name of output file
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