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epd created page: VASP
authored
Jul 26, 2016
by
Doak, Peter W.
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@@ -16,8 +16,9 @@ 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
mpirun -x OMP_NUM_THREADS --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 &
```
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
