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Update Cades
authored
Oct 01, 2020
by
Doak, Peter W.
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@@ -124,9 +124,20 @@ If your directory is missing ask @michael.galloway or another Cades admin in #ge
## Interactive Jobs
```
shell
salloc
-A
cnms
-p
batch
-N
1
-n
32
-c
1
--mem
=
100G
-t
04:00:00 srun
--pty
bash
-i
salloc
-A
cnms
-p
batch
--nodes
=
1
--mem
=
80G
--exclusive
-t
00:30:00
```
then wait. Try
`-p high_mem`
if the wait is too long.
Then you can run jobs interactively by basically entering the commands in your submission script. If it fails you can correct and try again.
### examples
#### nwchem
```
shell
module load PE-gnu/3.0
module load nwchem/6.6_p3
srun
--cpu-bind
=
cores nwchem input 2>&1
>
nwchem_out &
tail
-f
nwchem_out
```
unfortunately there's more to it than this if you expect to launch an mpi job interactively.
## CODES
These are the codes that have been installed so far. You can request additional codes.
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