Zeus molpro #6
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Zeus molpro #6
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alongd
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Jan 24, 2023
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alongd
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alongd
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Thanks! I added some comments
| source /usr/local/g09/setup.sh | ||
| GAUSS_SCRDIR=/gtmp/$PBS_JOBID | ||
| GAUSS_SCRDIR=/home/{un}/scratch/g09/$PBS_JOBID |
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This is problematic and causes a "Disk Quota Exceeded Error"
| submit_scripts = { | ||
| 'local': { | ||
| 'gaussian': """#!/bin/bash -l | ||
| 'gaussian': """#!/bin/sh |
| 'local': { # Each Zeus node containes 80 cores and 378 GB RAM | ||
| 'cluster_soft': 'PBS', | ||
| 'un': 'alon', | ||
| 'un': 'kaplan.kfir', |
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can you make this something general and add a reminder comment to modify it?
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Added molpro to Zeus