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| software:lammps:caviness [2025-12-01 14:51] – anita | software:lammps:caviness [2025-12-01 14:54] (current) – anita |
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| The job submission script template sources an external script to complete the setup of the job environment. You should never delete parts of the template or comment out any option unless you see ''[EDIT]'' instructions. | The job submission script template sources an external script to complete the setup of the job environment. You should never delete parts of the template or comment out any option unless you see ''[EDIT]'' instructions. |
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| <note important>There have been a few reports from clients that after a LAMMPS job has been submitted (especially if you know the job has worked correctly before), the scheduler indicates the job is running however no data is written in the output files. In such cases, clients report cancelling the job and resubmitting without any change and the job ran successfully.</note> | <note warning>**Remember:** The clusters may have a few versions of a lammps package available but users are cautioned: they contain only the default functionality with which the program ships. Any additional functionalities realized by enabling packages require end users (or workgroups) to build their own copies of LAMMPS. Please reference [[technical:recipes:lammps|Installing and managing LAMMPS on Caviness/DARWIN]] as a guide through this process.</note> |
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| <note warning>Keep in mind, the clusters may have a few versions of a lammps package available but users are cautioned: they contain only the default functionality with which the program ships. Any additional functionalities realized by enabling packages require end users (or workgroups) to build their own copies of LAMMPS. Please reference Installing and managing LAMMPS on Caviness/DARWIN as a guide through this process.</note> | <note important>There have been a few reports from clients that after a LAMMPS job has been submitted (especially if you know the job has worked correctly before), the scheduler indicates the job is running however no data is written in the output files. In such cases, clients report cancelling the job and resubmitting without any change and the job ran successfully.</note> |