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New examples based on current version of UNRES.
[unres.git]
/
examples
/
unres
/
new
/
MREMD
/
ff_gab
/
start.mat
diff --git
a/examples/unres/new/MREMD/ff_gab/start.mat
b/examples/unres/new/MREMD/ff_gab/start.mat
index
aa43e32
..
48a400a
100755
(executable)
--- a/
examples/unres/new/MREMD/ff_gab/start.mat
+++ b/
examples/unres/new/MREMD/ff_gab/start.mat
@@
-1,8
+1,8
@@
#PBS -N MREMD-gab
#PBS -q dque
#PBS -N MREMD-gab
#PBS -q dque
-#PBS -l nodes=8:ppn=8
+#PBS -l nodes=4:ppn=8
# #PBS -l mem=2gb
# #PBS -l mem=2gb
-#PBS -l walltime=24:00:00
+#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`
setenv MPIRUN "/users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/bin/mpirun "
setenv NPROCS `cat $PBS_NODEFILE | wc -l`