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ctest csa
[unres.git]
/
examples
/
unres
/
MD
/
Berendsen
/
ff_gab
/
start.mat
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#PBS -N Ber-gab-MD
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#PBS -q dque
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#PBS -l nodes=1:ppn=8
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#PBS -l walltime=2:00:00
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setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "
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setenv NPROCS `cat $PBS_NODEFILE | wc -l`
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cd $PBS_O_WORKDIR
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$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh
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