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8a1c23ddda5fde2ae4084982476dd90efc42b0af
[unres.git]
/
start.mat
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#PBS -N local_1l2y_pdb
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#PBS -q special
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#PBS -l nodes=1:ppn=4
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#PBS -l walltime=168:00:00
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setenv MPIRUN "/users/local/mpi64/mpich-1.2.7p1/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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