tcr_sri002
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| Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
| tcr_sri002 [2020/04/26 12:14] – tmatejuk | tcr_sri002 [2023/08/01 01:08] (current) – external edit 127.0.0.1 | ||
|---|---|---|---|
| Line 36: | Line 36: | ||
| ==== sbatch example ==== | ==== sbatch example ==== | ||
| Use Quantum Espresso 6.5. This description assumes that path to binaries is ''/ | Use Quantum Espresso 6.5. This description assumes that path to binaries is ''/ | ||
| + | #!/bin/bash -l | ||
| #SBATCH --job-name=" | #SBATCH --job-name=" | ||
| #SBATCH --nodes=2 | #SBATCH --nodes=2 | ||
| Line 47: | Line 47: | ||
| | | ||
| WORKDIR="/ | WORKDIR="/ | ||
| - | mkdir -p ${WORKDIR} | + | mkdir -p ${WORKDIR} |
| + | cd ${WORKDIR} | ||
| + | | ||
| export BIN_DIR="/ | export BIN_DIR="/ | ||
| export PATH=${BIN_DIR}: | export PATH=${BIN_DIR}: | ||
| export PSEUDO_DIR=${WORKDIR} | export PSEUDO_DIR=${WORKDIR} | ||
| export TMP_DIR="/ | export TMP_DIR="/ | ||
| - | + | ||
| - | mkdir -p ${WORKDIR} | + | |
| - | cd ${WORKDIR} | + | |
| #copy input files and pseudo files to ${WORKDIR} | #copy input files and pseudo files to ${WORKDIR} | ||
| cp / | cp / | ||
tcr_sri002.1587896095.txt.gz · Last modified: 2023/08/01 06:38 (external edit)
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