added documentation

louisponet · Mar 8, 2018 · be96181 · be96181
1 parent 954b41b
commit be96181
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diff --git a/assets/inputs/test_job/job.tt b/assets/inputs/test_job/job.tt
diff --git a/test/test_job/job.tt b/test/test_job/job.tt
@@ -0,0 +1,18 @@
+#!/bin/bash
+#SBATCH -N 1
+#SBATCH --ntasks-per-node=24
+#SBATCH --time=24:00:00
+#SBATCH -J test_job
+#SBATCH -p defpart
+
+module load open-mpi/gcc/1.10.2
+module load mkl/2016.1.056
+
+#mpirun -np 24 ~/bin/pw.x  <vc_rel.in> vc_rel.out
+mpirun -np 24 ~/bin/pw.x  <scf.in> scf.out
+mpirun -np 24 ~/bin/pw.x  <bands.in> bands.out
+mpirun -np 24 ~/bin/projwfc.x  <projwfc.in> projwfc.out
+mpirun -np 24 ~/bin/pw.x  <nscf.in> nscf.out
+~/bin/wannier90.x -pp wan
+mpirun -np 24 ~/bin/pw2wannier90.x  <pw2wan.in> pw2wan.out 
+~/bin/wannier90.x  wan