updated examples to conform to new submission params

CADES/ESPRESSO/espresso_job.pbs

@@ -6,8 +6,10 @@
 #PBS -q batch
 #PBS -l nodes=2:ppn=32:hw32
 #PBS -l walltime=00:30:00
+#PBS -A cnms
+#PBS -l naccesspolicy=singlejob
 #PBS -W group_list=cades-cnms
-#PBS -l qos=condo
+#PBS -l qos=std
 
 #PBS -l naccesspolicy=singlejob
 export OMP_NUM_THREADS=1

CADES/LAMMPS/micelle/lammps_job.pbs

@@ -7,8 +7,9 @@
 #PBS -l nodes=1:ppn=32:hw32
 #PBS -l walltime=0:10:00
 #PBS -l naccesspolicy=singlejob
+#PBS -A cnms
 #PBS -W group_list=cades-cnms
-#PBS -l qos=condo
+#PBS -l qos=std
 
 export OMP_NUM_THREADS=1
 

CADES/VASP/vasp_job.pbs

@@ -7,8 +7,9 @@
 #PBS -l nodes=2:ppn=32:hw32
 #PBS -l walltime=00:30:00
 #PBS -l naccesspolicy=singlejob
+#PBS -A cnms
 #PBS -W group_list=cades-cnms
-#PBS -l qos=condo
+#PBS -l qos=std
 
 export OMP_NUM_THREADS=1
 
@@ -22,6 +23,6 @@ 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/5.4.1.2
+module load vasp/5.4.1
 
 mpirun -v --report-bindings ${VASP_MPI_FLAGS} $VASP 2>&1 >vasp_out