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* Committed: Original user-invocable "g09slurm" from Wahab

Browse Source 
and the "g09.slurm" backend script.

  Signatures:
    # -rwxr-xr-x 1 wpurwant users  394 2020-09-10 01:06:20 g09.slurm
    # -rwxr-xr-x 1 wpurwant users 1120 2019-09-16 15:24:20 g09slurm
    # 387f828b04454678b23b05af61e4f334  g09.slurm
    # 9ee4bfcfad766165a81239cb13d7ef30  g09slurm
    # e0dbc8b24aeecbbecf7255a3e3f84dc3fc3a422f  g09.slurm
    # d5a33e554766c41f17f6839242c5c7f4d60e7fe4  g09slurm

  g09.slurm is originally located at
  /cm/shared/apps/gaussian/g09revD.01/script/g09/script/g09.slurm
This commit is contained in:
Min Dong
2019-09-16 15:24:20 -04:00
committed by Wirawan Purwanto
parent 19c833c3ff
commit 19eacfbf54
2 changed files with 71 additions and 0 deletions
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18
turing/calculations/g09/g09.slurm Executable file
View File

@@ -0,0 +1,18 @@
#!/bin/tcsh
setenv g09root /cm/shared/apps/gaussian/g09revD.01
if ($?USETMPFS ) then
setenv tmpG09 /tmp/${SLURM_JOB_NAME}.o${SLURM_JOB_ID}.tmp
else
setenv tmpG09 /${SLURM_SUBMIT_DIR}/${SLURM_JOB_NAME}.o${SLURM_JOB_ID}.tmp
endif
mkdir $tmpG09
setenv GAUSS_SCRDIR $tmpG09
source $g09root/g09/bsd/g09.login
g09 < $1
rmdir --ignore-fail-on-non-empty $tmpG09