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Fix GAMESS_USERSCR export command
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heatherkellyucl committed Jun 3, 2024
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4 changes: 2 additions & 2 deletions mkdocs-project-dir/docs/Software_Guides/Other_Software.md
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Expand Up @@ -342,7 +342,7 @@ recon-all -openmp $NSLOTS -i sample-001.nii.gz -s bert -all

The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package.

The GAMESS module should be loaded once from a login node before submitting a job - this creates the `~/Scratch/gamess` directory for you which is used as `USERSCR` to write some scratch files during the job. If you don't want to keep these files and would prefer them to be written to `$TMPDIR` instead, you can put `export $GAMESS_USERSCR=$TMPDIR` in your jobscript after the module load command.
The GAMESS module should be loaded once from a login node before submitting a job - this creates the `~/Scratch/gamess` directory for you which is used as `USERSCR` to write some scratch files during the job. If you don't want to keep these files and would prefer them to be written to `$TMPDIR` instead, you can put `export GAMESS_USERSCR=$TMPDIR` in your jobscript after the module load command.

```
module unload compilers mpi
Expand All @@ -352,7 +352,7 @@ module load gamess/5Dec2014_R1/intel-2015-update2
# Optional: set where the USERSCR files go.
# By default, the module sets it to ~/Scratch/gamess
export $GAMESS_USERSCR=$TMPDIR
export GAMESS_USERSCR=$TMPDIR
rungms exam01.inp 00 $NSLOTS $(ppn)
```
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