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Pull request overview
Updates the Zeus ARC PBS submit script to use the /gtmp filesystem for Molpro scratch space instead of /tmp, aligning Molpro scratch behavior with other quantum chemistry submit scripts on the same server.
Changes:
- Change
MOLPRO_SCRDIRfrom/tmp/{un}/scratch/molpro/$PBS_JOBIDto/gtmp/{un}/scratch/molpro/$PBS_JOBIDin the Zeus Molpro submit script.
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