Merge pull request #429 from xchem/set-buster-refmac-tasks

set buster refmac tasks
xchem · Jan 6, 2025 · 1149cfc · 1149cfc
2 parents 6294bbb + 6587f17
commit 1149cfc
Showing 1 changed file with 7 additions and 2 deletions.
diff --git a/xce/lib/XChemRefine.py b/xce/lib/XChemRefine.py
@@ -698,6 +698,7 @@ def run_script(self, program, external_software, Serial, xce_logfile, slurm_toke
             "{!s}.sh".format(program),
             xce_logfile,
             slurm_token,
+            tasks=8,
         )
 
     def RunBuster(
@@ -1193,7 +1194,9 @@ def RunRefmac(
             % (os.path.join(self.ProjectPath, self.xtalID, "Refine_" + Serial))
         )
 
-        slurm.submit_cluster_job("xce_refmac", "refmac.csh", xce_logfile, slurm_token)
+        slurm.submit_cluster_job(
+            "xce_refmac", "refmac.csh", xce_logfile, slurm_token, tasks=8
+        )
 
     def RefinementParams(self, RefmacParams):
         self.RefmacParams = RefmacParams
@@ -2158,7 +2161,9 @@ def RunQuickRefine(
             )
         )
 
-        slurm.submit_cluster_job("refmac", "refmac.csh", xce_logfile, slurm_token)
+        slurm.submit_cluster_job(
+            "refmac", "refmac.csh", xce_logfile, slurm_token, tasks=8
+        )
 
     def RefinementParams(self, RefmacParams):
         self.RefmacParams = RefmacParams