Update for mcnp6.2 and Git-Slurm job

.gitignore

@@ -5,3 +5,6 @@ comou*
 out*
 ./mcnp*
 slurm-*.out
+tmp
+runs
+

e2-estia.i

@@ -556,7 +556,7 @@ c      1001.70c -0.0284
 c mx8:h j j 6012.70h j j
 c mt8  lwtr.01t
 c Helium
-m9      2004.50c 2.45e-05 pnlib=70u
+m9      2004.70c 2.45e-05 pnlib=70u
 c
 c BorAL 1100 alloy (2.7 g/cc)
 m10 5010.70c -0.04 5011.70c -0.01 13027.70c -0.9288 &
@@ -656,6 +656,7 @@ m71     6000.70c 0.000101187 14028.70c 0.000295128 24000.50c
         0.000172218 28060.70c 6.6335e-05 28061.70c 2.88126e-06
         28062.70c 9.19272e-06 28064.70c 2.33992e-06 29063.70c
         0.000116651 29065.70c 5.19931e-05 pnlib=70u
+mx123:h  j 1001.70h
 mx71:h 6012.70h   j   j   j   j   j   j   j   j   j   j   j   j   j   j
 c
 c Material : Copper rho=0.0844385

sbatch.tsh

@@ -0,0 +1,26 @@
+#!/usr/bin/env tcsh
+#SBATCH -J mcnpEstia
+#SBATCH -N 3
+#SBATCH --ntasks-per-node=24
+#SBATCH --time=12:00:00
+#SBATCH --mail-type=fail
+#SBATCH --mail-user=artur.glavic@psi.ch
+#SBATCH -o tmp/stdout.log
+#SBATCH -e tmp/stderr.log
+#SBATCH --partition=ll_medium
+
+setenv CURRENT_VERSION $1
+#"`/usr/bin/git describe --tags --long`"
+
+echo "Starting at `date`"
+echo "Running on hosts: $SLURM_NODELIST"
+echo "Running on $SLURM_NNODES nodes."
+echo "Running on $SLURM_NPROCS processors."
+echo "Current working directory is `pwd`"
+echo "Estia GIT revision is $CURRENT_VERSION"
+
+mpirun -np $SLURM_NPROCS mcnp6.mpi \
+      inp=e2-estia.i outp=results/e2-estia_$CURRENT_VERSION.out \
+      runtpe=runs/e2-estia_$CURRENT_VERSION.run 
+
+echo "Program finished with exit code $? at: `date`"

submit

@@ -0,0 +1,7 @@
+#!/bin/tcsh
+
+sbatch sbatch.tsh "`/usr/bin/git describe --tags --long`"
+
+# waiting for batch job to start and send all output directly to terminal
+sleep 2
+tail -qf tmp/stdout.log tmp/stderr.log