X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FGAB%2Flocal%2Fstart.mat;fp=examples%2Funres%2FCSA%2FGAB%2Flocal%2Fstart.mat;h=f11984f4ba114bf27f1f9d8fb5befac2b394d8ae;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=0000000000000000000000000000000000000000;hpb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;p=unres.git diff --git a/examples/unres/CSA/GAB/local/start.mat b/examples/unres/CSA/GAB/local/start.mat new file mode 100755 index 0000000..f11984f --- /dev/null +++ b/examples/unres/CSA/GAB/local/start.mat @@ -0,0 +1,11 @@ +#PBS -N local_1l2y_csa +#PBS -q special +#PBS -l nodes=15:ppn=4 +#PBS -l walltime=168:00:00 + +setenv MPIRUN "/users/local/mpi64/mpich-1.2.7p1/bin/mpirun " +setenv NPROCS `cat $PBS_NODEFILE | wc -l` + +cd $PBS_O_WORKDIR +$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh +