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Merge branch 'master' of mmka.chem.univ.gda.pl:unres
[unres.git]
/
CSA
/
start.mat
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#PBS -N PROTA
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#PBS -q dque
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#PBS -l nodes=20:ppn=2
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#PBS -l walltime=3:00:00
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set NPROCS=`cat $PBS_NODEFILE | wc -l`
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echo $NPROCS processors used
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time mpirun -machinefile $PBS_NODEFILE -np $NPROCS -nolocal -p4wd $PBS_O_WORKDIR \
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$PBS_O_WORKDIR/unresproteinA.csh
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