Ci-dessous, les différences entre deux révisions de la page.
Les deux révisions précédentesRévision précédenteProchaine révision | Révision précédente | ||
faq:chimie:crystal [2020/06/23 14:40] – [Submission script for crystal 17] shellcheck ltaulell | faq:chimie:crystal [2022/03/03 16:28] (Version actuelle) – [Submission script for Properties 17] tjiang | ||
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export CRY17_SCRDIR="/ | export CRY17_SCRDIR="/ | ||
else | else | ||
- | echo "/ | + | echo "/ |
- | | + | |
fi | fi | ||
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#export CRY17_SCRDIR="/ | #export CRY17_SCRDIR="/ | ||
+ | echo " | ||
/bin/mkdir -p " | /bin/mkdir -p " | ||
export CRY17P_MACH=" | export CRY17P_MACH=" | ||
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module load crystal/17 | module load crystal/17 | ||
- | export HOMEDIR=$SGE_O_WORKDIR | + | export HOMEDIR="${SGE_O_WORKDIR}" |
- | cd $HOMEDIR | + | cd "${HOMEDIR}" || { echo " |
- | export CRY17_INP=$HOMEDIR | + | export CRY17_INP="${HOMEDIR}" |
if [[ -d "/ | if [[ -d "/ | ||
then | then | ||
- | export CRY17_SCRDIR=/ | + | export CRY17_SCRDIR="/ |
elif [[ -d "/ | elif [[ -d "/ | ||
then | then | ||
- | export CRY17_SCRDIR=/ | + | export CRY17_SCRDIR="/ |
elif [[ -d "/ | elif [[ -d "/ | ||
then | then | ||
- | export CRY17_SCRDIR=/ | + | export CRY17_SCRDIR="/ |
- | elif [[ -d "/ | + | |
- | then | + | |
- | export CRY17_SCRDIR=/ | + | |
else | else | ||
- | echo "/ | + | echo "/ |
- | | + | |
fi | fi | ||
- | /bin/mkdir -p $CRY17_SCRDIR | + | |
- | export EXEC=$CRYSTALROOT/ | + | echo " |
+ | /bin/mkdir -p "${CRY17_SCRDIR}" | ||
+ | export EXEC="${CRYSTALROOT}/ | ||
# Running crystal properties | # Running crystal properties | ||
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# Cleaning up scratch directory | # Cleaning up scratch directory | ||
- | rm -fr $CRY17_SCRDIR | + | rm -fr "${CRY17_SCRDIR}" |
</ | </ |