Merge branch 'master' of https://github.com/aiidateam/aiida-quantumes…

…presso-hp into fix/parsing
aiidateam · Feb 13, 2024 · 14a0028 · 14a0028
2 parents a3cad55 + d15a21f
commit 14a0028
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Showing 2 changed files with 5 additions and 1 deletion.
diff --git a/tests/conftest.py b/tests/conftest.py
@@ -168,7 +168,7 @@ def sssp(aiida_profile, generate_upf_data):
                 'cutoff_rho': 240.0,
             }
 
-        label = 'SSSP/1.2/PBEsol/efficiency'
+        label = 'SSSP/1.3/PBEsol/efficiency'
         family = SsspFamily.create_from_folder(dirpath, label)
 
     family.set_cutoffs(cutoffs, stringency, unit='Ry')

diff --git a/tests/workflows/protocols/test_hubbard/test_default.yml b/tests/workflows/protocols/test_hubbard/test_default.yml
@@ -26,13 +26,15 @@ relax:
   base:
     kpoints_distance: 0.15
     kpoints_force_parity: false
+    max_iterations: 5
     pw:
       code: test.quantumespresso.pw@localhost
       metadata:
         options:
           max_wallclock_seconds: 43200
           resources:
             num_machines: 1
+            num_mpiprocs_per_machine: 1
           withmpi: true
       parameters:
         CELL:
@@ -65,13 +67,15 @@ relax:
 scf:
   kpoints_distance: 0.4
   kpoints_force_parity: false
+  max_iterations: 5
   pw:
     code: test.quantumespresso.pw@localhost
     metadata:
       options:
         max_wallclock_seconds: 43200
         resources:
           num_machines: 1
+          num_mpiprocs_per_machine: 1
         withmpi: true
     parameters:
       CONTROL: