set buster refmac tasks

xchem · Dec 11, 2024 · fca4ed5 · fca4ed5
1 parent 0fbf3a0
commit fca4ed5
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/xce/lib/XChemRefine.py b/xce/lib/XChemRefine.py
@@ -697,6 +697,7 @@ def run_script(self, program, external_software, Serial, xce_logfile, slurm_toke
             "{!s}.sh".format(program),
             xce_logfile,
             slurm_token,
+            tasks=8,
         )
 
     def RunBuster(
@@ -1192,7 +1193,7 @@ 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
@@ -2157,7 +2158,7 @@ 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