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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
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@@ -124,9 +124,20 @@ If your directory is missing ask @michael.galloway or another Cades admin in #ge
## Interactive Jobs
## Interactive Jobs
```
shell
```
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
## CODES
These are the codes that have been installed so far. You can request additional codes.
These are the codes that have been installed so far. You can request additional codes.
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