Merge branch 'bartek' of mmka.chem.univ.gda.pl:unres into bartek
[unres.git] / examples / unres / CSA / GAB / CSA / reminimize / run
diff --git a/examples/unres/CSA/GAB/CSA/reminimize/run b/examples/unres/CSA/GAB/CSA/reminimize/run
new file mode 100755 (executable)
index 0000000..21247ff
--- /dev/null
@@ -0,0 +1,11 @@
+#PBS -N unres_csa_dfa
+#PBS -q special
+#PBS -l nodes=2:ppn=4
+
+set NPROCS=`cat $PBS_NODEFILE | wc -l`
+
+cd $PBS_O_WORKDIR             
+
+/users/local/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np $NPROCS \
+-p4wd $PBS_O_WORKDIR $PBS_O_WORKDIR/unres_4P.csh 
+