Update memory req

kmlefran · Dec 6, 2023 · a7608e8 · a7608e8
1 parent 13100c5
commit a7608e8
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/aiida_aimall/__init__.py b/aiida_aimall/__init__.py
@@ -4,4 +4,4 @@
 A plugin to interface AIMAll with AiiDA
 """
 
-__version__ = "0.2.21"
+__version__ = "0.2.22"
diff --git a/aiida_aimall/workchains.py b/aiida_aimall/workchains.py
@@ -321,7 +321,7 @@ def g16_opt(self):
         builder.code = self.inputs.g16_code
         builder.wfxgroup = self.inputs.wfxgroup
         builder.metadata.options.resources = {"num_machines": 1, "tot_num_mpiprocs": 4}
-        builder.metadata.options.max_memory_kb = 384000
+        builder.metadata.options.max_memory_kb = 6400 * 1.25 * 1024
         builder.metadata.options.max_wallclock_seconds = 604800
         process_node = self.submit(builder)
         g16_opt_group = load_group("g16_opt")