reducing runtime for test/example

CADES/VASP/vasp_job.pbs

@@ -5,7 +5,7 @@
 #PBS -N sample_job
 #PBS -q batch
 #PBS -l nodes=2:ppn=32:hw32
-#PBS -l walltime=4:00:00
+#PBS -l walltime=00:30:00
 #PBS -l naccesspolicy=singlejob
 #PBS -W group_list=cades-cnms
 #PBS -l qos=condo
@@ -22,6 +22,6 @@ cat $PBS_NODEFILE >pbs_nodefile
 #slower than they should.  Refrain from using more than ~1 cpu per atom
 #past 64 or 128 cores LSCALAPACK=.FALSE.
 module load env/cades-cnms
-module load vasp
+module load vasp/5.4.1.2
 
 mpirun -v --report-bindings ${VASP_MPI_FLAGS} $VASP 2>&1 >vasp_out