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New page: #!/bin/bash #$ -cwd #$ -pe cq4m4_mpi 8 #$ -R y #$ -masterq cq4m4.q #Setup Turbomole environment export PARNODES=8 export PARA_ARCH=MPI export HOSTS_FILE=$TMPDIR/machines e... |
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Go back to [http://aliga.iciq.es/wiki/index.php/TURBOMOLE TURBOMOLE] | |||
#!/bin/bash | #!/bin/bash | ||
#$ -cwd | #$ -cwd | ||
Revision as of 11:40, 12 March 2010
Go back to TURBOMOLE
#!/bin/bash #$ -cwd #$ -pe cq4m4_mpi 8 #$ -R y #$ -masterq cq4m4.q #Setup Turbomole environment export PARNODES=8 export PARA_ARCH=MPI export HOSTS_FILE=$TMPDIR/machines export TURBODIR=/opt/COSMOlogic/TURBOMOLE_6.1 export TURBOTMPDIR=/scratch/ export PATH=$TURBODIR/scripts:$PATH export PATH=$TURBODIR/bin/`sysname`:$PATH # Run Calculation jobex -ri -c 100 > jobex.out