Use num_machines * num_mpiprocs_per_machines to set num_cpus

aiidateam · Aug 19, 2024 · e21bcf9 · e21bcf9
1 parent f00dcbb
commit e21bcf9
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/aiida_hyperqueue/scheduler.py b/aiida_hyperqueue/scheduler.py
@@ -57,7 +57,10 @@ def validate_resources(cls, **kwargs):
         try:
             resources.num_cpus = kwargs.pop("num_cpus")
         except KeyError:
-            raise KeyError("Must specify `num_cpus`")
+            try:
+                resources.num_cpus = kwargs.pop("num_machines") * kwargs.pop("num_mpiprocs_per_machine")
+            except KeyError:
+                raise KeyError("Must specify `num_cpus`, or (`num_machines` and `num_mpiproces_per_machine`)")
         else:
             if not isinstance(resources.num_cpus, int):
                 raise ValueError("`num_cpus` must be an integer")