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