Merge pull request #5 from paulsaxe/main

Update for new scheme for running batch tasks
molssi-seamm · Mar 22, 2024 · 273fed3 · 273fed3
2 parents 176f530 + 67eccec
commit 273fed3
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diff --git a/HISTORY.rst b/HISTORY.rst
@@ -1,6 +1,8 @@
 =======
 History
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+2024.3.22 -- Updated for new scheme for running background jobs.
+
 2024.1.5 -- Bugfix: Thermal conductivity
     * If the Helfand moments fit in the thermal conductivity step failed it stopped the
       entire job. This is correct, as well as some of the undelying causes for

diff --git a/thermal_conductivity_step/thermal_conductivity.py b/thermal_conductivity_step/thermal_conductivity.py
@@ -317,6 +317,9 @@ def run(self):
             node.all_options = self.all_options
             node = node.next()
 
+        # And the subflowchart has the executor
+        self.subflowchart.executor = self.flowchart.executor
+
         # Loop over the runs
         nruns = P["nruns"]
         fmt = f"0{len(str(nruns))}"