...
To find the name of the container to you should use, follow the steps outlined here - https://asurc.atlassian.net/wiki/spaces/RC/pages/1904968271/Apptainer+usage#Step-1%3A-Identify-the-Apptainer-Image-for-Use
| Code Block |
|---|
|
$ SIMG=gamess_17.09 classic-interactive |
Example
| Code Block |
|---|
|
$ SIMG=gamess_17.09.sif classic-interactive
Waiting for JOBID 11272717 to start
Apptainer> cd /usr/local/bin/gamess
Apptainer> ls
DEVELOPERS.md Makefile REFS.DOC auxdata config lked
INPUT.DOC Makefile.in TESTS.DOC bin gamess.cchem.00.x runall
INTRO.DOC PROG.DOC _VERSION_ comp gms-files.csh rungms
IRON.DOC README.md actvte.f compall install.info tests
Apptainer> |
...
| Code Block |
|---|
SIMG=gamess_17.09 classic-interactive |
The above line is a shorthand command for both interactive as well as apptainer exec .... This means that you may modify this line to match the resources you may need for your compute, e.g.,
| Code Block |
|---|
interactive -c 24 --mem=128G -t 8:00:00 |
If you wish want to work incorporate this workflow into an sbatch jobscriptjob script, you can always invoke this the apptainer/singularity image like in the same way the shortcut does:
| Code Block |
|---|
exec /usr/bin/apptainer exec -B /scratch/$USER:/scratch/$USER /packages/apps/simg/gamess_17.09.sif /bin/bash |
On its Upon execution, it would continue execution in will continue to run inside the container, in opening a bash shell , ready for to receive commands:
Additional Help
If you require further assistance on this topic, please don't hesitate to contact the Research Computing Team. To create a support ticket, kindly send an email to rtshelp@asu.edu. For quick inquiries, you're welcome to reach out via our #rc-support Slack Channel or attend our office hours for live assistance
| Insert excerpt |
|---|
| Contact RC Support excerpt |
|---|
| Contact RC Support excerpt |
|---|
| nopanel | true |
|---|
|