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====Multiple ADF or BAND runs | ====Multiple ADF or BAND runs==== <!--T:20--> | ||
<!--T:22--> | <!--T:22--> | ||
Multiple calculations can be combined into a single job by creating a | Multiple calculations can be combined into a single job by creating a input file such as this: | ||
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{{File | {{File | ||
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<!--T:24--> | <!--T:24--> | ||
The following script is identical to the one used for a single run (mysub.sh), except | The following slurm script is identical to the one used for a single run (mysub.sh), except the last line calls the GO_H2O.run script, instead of ADF. | ||
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{{File | {{File | ||
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module load adf/2017.207 | module load adf/2017.207 | ||
bash GO_H2O.run | bash GO_H2O.run # run the shell script | ||
}} | }} | ||
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