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Materials Studio: Difference between revisions
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== Team Installation == | == Team Installation == | ||
If you are a PI holding the Materials Studio licence, you can install Materials Studio once so those working under you can use that installation. Normally your team's group would be <code>def-</code> followed by your login, i.e., | If you are a PI holding the Materials Studio licence, you can install Materials Studio once so those working under you can use that installation. Normally your team's group would be <code>def-</code> followed by your login, i.e., {{Commands|PI_GROUP{{=}}$(groups {{!}} tr ' ' '\n' {{!}} grep ^def-)|echo $PI_GROUP}} | ||
and normally team-shared files would be installed in your project space, e.g., {{Commands|PI_PROJECT_DIR{{=}}$(readlink -f ~/projects/$PI_GROUP)|echo $PI_PROJECT_DIR}} | |||
{{Commands|PI_GROUP{{=}}$(groups {{!}} tr ' ' '\n' {{!}} grep ^def-)|echo $PI_GROUP}} | |||
and normally team-shared files would be installed in your project space, e.g., | |||
{{Commands|PI_PROJECT_DIR{{=}}$(readlink ~/projects/$PI_GROUP)|echo $PI_PROJECT_DIR}} | |||
With these values known, install Materials Studio as follows: | With these values known, install Materials Studio as follows: | ||
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# Load the materialsstudio module, i.e., {{Command|module load materialsstudio}} | # Load the materialsstudio module, i.e., {{Command|module load materialsstudio}} | ||
'''NOTE:''' In any scripts, etc. used, be sure to replace the above PI_GROUP and PI_PROJECT_DIR variables with what their values are. | '''NOTE:''' In any scripts, etc. used, be sure to replace the above PI_GROUP and PI_PROJECT_DIR variables with what their values are. | ||
= Examples of Slurm Job Submission Scripts = | = Examples of Slurm Job Submission Scripts = | ||