fixed minimum number of nodes

nanotech-empa · Nov 15, 2023 · b333c55 · b333c55
1 parent 7f6c377
commit b333c55
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/aiida_nanotech_empa/workflows/cp2k/phonons_workchain.py b/aiida_nanotech_empa/workflows/cp2k/phonons_workchain.py
@@ -91,8 +91,8 @@ def setup(self):
         self.ctx.options = self.inputs.options
         self.ctx.geo_options = copy.deepcopy(self.ctx.options)
         self.ctx.geo_options["resources"]["num_machines"] = int(
-            self.ctx.phonons_params["nproc_rep"]
-            / self.ctx.options["resources"]["num_mpiprocs_per_machine"]
+            max(1,self.ctx.phonons_params["nproc_rep"]
+            / self.ctx.options["resources"]["num_mpiprocs_per_machine"])
         )
         self.ctx.input_dict["GLOBAL"]["WALLTIME"] = max(
             600, self.ctx.options["max_wallclock_seconds"] - 600