From 13a7f029da9f762c634337502e109475ecafdcd7 Mon Sep 17 00:00:00 2001 From: Calvin Date: Tue, 24 Dec 2024 13:38:18 +0200 Subject: [PATCH] Set permissions of job.sh file to 777 after creation --- arc/job/adapters/ts/heuristics.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/arc/job/adapters/ts/heuristics.py b/arc/job/adapters/ts/heuristics.py index e78c1f0be4..bf87958a20 100644 --- a/arc/job/adapters/ts/heuristics.py +++ b/arc/job/adapters/ts/heuristics.py @@ -1184,6 +1184,9 @@ def crest_ts_conformer_search(xyz_guess: dict, a_atom: int, h_atom: int, b_atom: with open(os.path.join(path, 'job.sh'), 'w') as f: f.write(crest_job) + # Need to make the job.sh file 777 + os.chmod(os.path.join(path, 'job.sh'), 0o777) + elif SERVERS['local']['cluster_soft'].lower() == 'pbs': # Write job submission scripts sub_job = submit_scripts['local']['crest']