VASP.md

+Once you have your Cades account you're naturally going to want to use Vasp.
+
+We have a prebuilt version of 5.4.1. To use it
+```shell_session
+bash$ module load env/cades-cnms
+bash$ module load vasp
+```
+Look at the example pbs_scripts in 
+```shell_session
+bash$ ls /software/user_tools/current/cades-cnms/pbs_samples
+```
+
+Note if you are batching jobs you need to look at the example for that.  It does not work like at NERSC
+
+for example you have 256 cores allocated
+
+to run two separate batch jobs
+```shell_session
+bash$ mpirun -n 128 -x OMP_NUM_THREADS=1 --mca btl self,sm,openib --map-by slot:SPAN --bind-to core
+--mca btl_openib_receive_queues S,9216,256,128,32:S,65536,256,128,32 --mca orte_base_help_aggregate 0 $VASP 2>&1 >vasp.out : 
+-wdir ../NiO100_H20_2 -n 128 $VASP 2>&1 >vasp.out
+```
+up to the : it is just as you would always do an mpirun, after the colon(s) list the options specific to the next program and its invocation.
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