X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2FCSA%2FCASP3%2FENERGY%2Fstart.mat;fp=examples%2Funres%2FCSA%2FCASP3%2FENERGY%2Fstart.mat;h=eb990a9c2708f3e2ee37f97b936513e8f46d026d;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/examples/unres/CSA/CASP3/ENERGY/start.mat b/examples/unres/CSA/CASP3/ENERGY/start.mat
new file mode 100755
index 0000000..eb990a9
--- /dev/null
+++ b/examples/unres/CSA/CASP3/ENERGY/start.mat
@@ -0,0 +1,12 @@
+#PBS -N test
+#PBS -q dque
+#PBS -l nodes=1:ppn=1
+#PBS -l mem=2gb
+#PBS -l walltime=24:00:00
+
+setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "
+setenv NPROCS `cat $PBS_NODEFILE | wc -l`
+
+cd $PBS_O_WORKDIR
+$MPIRUN -machinefile $PBS_NODEFILE -np $NPROCS ./unres_casp3.csh
+