resource setup specific for hq

src/aiidalab_qe/plugins/utils.py

@@ -3,12 +3,20 @@
 
 def set_component_resources(component, code_info):
     """Set the resources for a given component based on the code info."""
-    if code_info:  # Ensure code_info is not None or empty
-        component.metadata.options.resources = {
-            "num_machines": code_info["nodes"],
-            "num_mpiprocs_per_machine": code_info["ntasks_per_node"],
-            "num_cores_per_mpiproc": code_info["cpus_per_task"],
-        }
+    if code_info:  # Ensure code_info is not None or empty (# XXX: ? from jyu, need to pop a warning to plugin developer or what?)
+        code: orm.Code = code_info["code"]
+        if code.computer.scheduler_type == "hyperqueue":
+            component.metadata.options.resources = {
+                "num_cpus": code_info["nodes"] * code_info["ntasks_per_node"] * code_info["cpus_per_task"]
+            }
+        else:
+            # XXX: jyu should properly deal with None type of scheduler_type which can be "core.direct" (will be replaced by hyperqueue) and "core.slurm" ...
+            component.metadata.options.resources = {
+                "num_machines": code_info["nodes"],
+                "num_mpiprocs_per_machine": code_info["ntasks_per_node"],
+                "num_cores_per_mpiproc": code_info["cpus_per_task"],
+            }
+
         component.metadata.options["max_wallclock_seconds"] = code_info[
             "max_wallclock_seconds"
         ]