comment out setting the gpu in the somd cfg as this can create issues…

… when running via slurm
michellab · Oct 6, 2022 · 2e4e6ca · 2e4e6ca
1 parent 747e3e1
commit 2e4e6ca
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/python/BioSimSpace/Process/_somd.py b/python/BioSimSpace/Process/_somd.py
@@ -339,7 +339,7 @@ def _generate_config(self):
                 except:
                     pass
             # GPU device ID.
-            config_options["gpu"] = gpu_id
+            # config_options["gpu"] = gpu_id
 
         if not isinstance(self._protocol, (_Protocol.Minimisation, _Protocol.Equilibration, _Protocol.Production)):
             raise _IncompatibleError(