X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2F4P%2FCSA%2Fstart.mat;h=297cfd8777cf05841d86630107cc964bcc785db8;hb=56dccff0723472c3c38439f03012b5c9424f05f8;hp=459b75d16d195a9689acd41f5df167964915e683;hpb=aa40279614f313ccfc4fc41dd028f8c3ac76d975;p=unres.git

diff --git a/examples/unres/CSA/4P/CSA/start.mat b/examples/unres/CSA/4P/CSA/start.mat
index 459b75d..297cfd8 100755
--- a/examples/unres/CSA/4P/CSA/start.mat
+++ b/examples/unres/CSA/4P/CSA/start.mat
@@ -1,11 +1,11 @@
-#PBS -N IGD
-#PBS -q dque
-#PBS -l nodes=70:ppn=2
-#PBS -l walltime=12:00:00
-set NPROCS=`cat $PBS_NODEFILE | wc -l`
+#PBS -N global_1l2y_csa
+#PBS -q special
+#PBS -l nodes=8:ppn=4
+#PBS -l walltime=168:00:00
 
-echo $NPROCS processors used
+setenv MPIRUN "/users/local/mpi64/mpich-1.2.7p1/bin/mpirun "
+setenv NPROCS `cat $PBS_NODEFILE | wc -l`
 
-time mpirun -machinefile $PBS_NODEFILE -np $NPROCS -nolocal -p4wd $PBS_O_WORKDIR \
-$PBS_O_WORKDIR/unres1IGD_4P.csh
+cd $PBS_O_WORKDIR
+$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS unres.csh