How to use Octopus¶
|
Software
|
Version
|
Cluster
|
|---|---|---|
|
Octopus
|
11.4
|
Dardel
|
To use this module do
ml PDC/22.06
ml octopus/11.4-cpeGNU-22.06
Below follows an example job script for Octopus.
#!/bin/bash
# time allocation
#SBATCH -A <your-project-account>
# name of this job
#SBATCH -J octopus-job
# partition
#SBATCH -p main
# wall time for this job
#SBATCH -t 01:00:00
# number of nodes
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=128
#SBATCH --cpus-per-task=1
ml PDC/22.06
ml octopus/11.4-cpeGNU-22.06
srun octopus inp > out.log
Assuming the script is named jobscriptoctopus.sh, it can be submitted using:
sbatch jobscriptoctopus.sh
Please consult the official Octopus documentation for more details
Disclaimer¶
PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.