change name of submi script

cbc-univie · Sep 7, 2022 · 61b8b22 · 61b8b22
1 parent 6ea8e02
commit 61b8b22
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Showing 3 changed files with 18 additions and 19 deletions.
diff --git a/transformato/bin/slurm_switching.sh b/transformato/bin/slurm_switching.sh
@@ -0,0 +1,16 @@
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+export OPENMM_PRECISION='mixed'
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+pwd; hostname; date
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+python perform_correction.py
diff --git a/transformato/bin/submit_switching_slurm.sh b/transformato/bin/submit_switching_slurm.sh
diff --git a/transformato/state.py b/transformato/state.py
@@ -53,8 +53,8 @@ def endstate_correction(self):
             logger.info(f"Folder for endstate correction exist already")
 
         # copy submit script to the newly created folder
-        submit_switching_script_source = f"{self.configuration['bin_dir']}/submit_switching_slurm.sh"
-        submit_switchting_script_target = f"{self.path}/../endstate_correction/submit_switching_slurm.sh"
+        submit_switching_script_source = f"{self.configuration['bin_dir']}/slurm_switching.sh"
+        submit_switchting_script_target = f"{self.path}/../endstate_correction/slurm_switching.sh"
         shutil.copyfile(submit_switching_script_source, submit_switchting_script_target)
 
         # modify the perform_correction file from transformato bin and save it in the endstate_correcition folder