Kraken Cray XT5 at NICS

NAMD is installed on Kraken with the script ~jphillip/NAMD_scripts/runbatch, which links to a binary in lustre/scratch/jphillip (compute nodes can't access home directories).

Kraken User Guide: http://www.nics.tennessee.edu/table-of-contents

See also NamdOnCrayXT5

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To build Charm++ with gcc on Kraken (in theory):

# switch to gcc compilers - this doesn't work quite right
module swap PrgEnv-pgi PrgEnv-gnu
module swap gcc gcc/4.2.3

cvs -d :pserver:checkout@charmcvs.cs.uiuc.edu:/cvsroot get -P charm-6.0
cd charm-6.0
env MPICXX=CC MPICC=cc ./build charm++ mpi-linux-x86_64 --no-build-shared -O -DCMK_OPTIMIZE=1

Docs at http://www.nics.tennessee.edu/computing-resources/kraken/compiling