Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MD / Nose_Hoover / ff_1l2y / start.mat

diff --git a/examples/unres/MD/Nose_Hoover/ff_1l2y/start.mat b/examples/unres/MD/Nose_Hoover/ff_1l2y/start.mat
new file mode 100755 (executable)
index 0000000..09271fc
--- /dev/null
+++ b/examples/unres/MD/Nose_Hoover/ff_1l2y/start.mat
@@ -0,0 +1,12 @@
+#PBS -N nose-1l2y-MD
+#PBS -q dque
+#PBS -l nodes=1:ppn=8
+# #PBS -l mem=4gb
+#PBS -l walltime=2:00:00
+
+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.csh
+