Merge pull request #40 from hjkgrp/disable_max_resub

disabled max_resub
hjkgrp · Nov 20, 2024 · 83c1d2a · 83c1d2a
2 parents 1e82650 + e740056
commit 83c1d2a
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Showing 2 changed files with 5 additions and 4 deletions.
diff --git a/jobmanager/io/io.py b/jobmanager/io/io.py
@@ -97,7 +97,8 @@ def read_outfile(outfile_path, short_ouput=False, long_output=True):
                                'finished': False, 'min_energy': None, 'scf_error': False,
                                'thermo_grad_error': False, 'solvation_energy': None, 'optimization_cycles': None,
                                'thermo_vib_energy': None, 'thermo_vib_free_energy': None, 'thermo_suspect': None,
-                               'orbital_occupation': None, 'oscillating_scf_error': False}
+                               'orbital_occupation': None, 'oscillating_scf_error': False,
+                               'terminated': False, 'no_scf': False}
                 return return_dict
 
     output_type = ['TeraChem', 'ORCA'][counter]
@@ -595,8 +596,8 @@ def strip_new_line(string):
     # If global settings not specified, choose defaults:
     if (not max_jobs) and isinstance(max_jobs, bool):
         max_jobs = 50
-    if not max_resub:
-        max_resub = 5
+    # if not max_resub:
+    #    max_resub = 5
     if not levela:
         levela = 0.25
     if not levelb:

diff --git a/jobmanager/resub.py b/jobmanager/resub.py
@@ -39,7 +39,7 @@ def kill_jobs(kill_names, message1='Killing job: ', message2=' early'):
         print(message1 + name + message2)
         if machine in ['gibraltar']:
             tools.call_bash('qdel ' + str(id_))
-        elif machine in ['comet', 'bridges','expanse']:
+        elif machine in ['supercloud', 'comet', 'bridges','expanse']:
             tools.call_bash('scancel '+str(id_))
         else:
             raise ValueError('Sardines.')