... | ... | @@ -12,13 +12,14 @@ 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
|
|
|
for example you have 512 cores allocated
|
|
|
|
|
|
to run two separate batch jobs
|
|
|
to run three separate batch jobs
|
|
|
```shell_session
|
|
|
bash$ mpirun -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
|
|
|
-n 128 -wdir ./First_VASP_Dir $VASP 2>&1 >vasp.out :
|
|
|
-wdir ./SecondVaspDir -n 128 $VASP 2>&1 >vasp.out &
|
|
|
-wdir ./SecondVaspDir -n 128 $VASP 2>&1 >vasp.out :
|
|
|
-wdir ./ThirdVaspDir -n 256 $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. |
|
|
\ No newline at end of file |