Dear Q-Chem users,

Q-Chem was updated.

- System: ACSG
- Version: Q-Chem(Version: 4.3 --> 4.3.1)

1) Batch jobs
(1) バッチジョブ実行方法
Ex.) Sample scripts
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[username@greatwave:~] vi qchem.sh
#!/bin/sh
#------ pjsub option --------#
#PJM -L rscunit=gwacsg
#PJM -L rscgrp=qchem
#PJM -L vnode=1
#PJM -L vnode-core=12
#PJM -L elapse=1:00:00
#PJM -g Q99999
#PJM -j
#------- Program execution -------#
module load qchem
qchem -nt 12 infile outfile

Ex.) Submit
[username@greatwave]$ pjsub qchem.sh
[INFO] PJM 0000 pjsub Job 12345 submitted.
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