Create meluxina.yaml

molmod · Jan 16, 2024 · 29015c9 · 29015c9
1 parent 72f1b6d
commit 29015c9
Showing 1 changed file with 20 additions and 0 deletions.
diff --git a/configs/meluxina.yaml b/configs/meluxina.yaml
@@ -0,0 +1,20 @@
+---
+container:
+  engine: "apptainer"
+  uri: "oras://ghcr.io/molmod/psiflow:3.0.2_python3.10_cuda"
+ReferenceEvaluation:
+  max_walltime: 20
+  cores_per_worker: 128
+  cpu_affinity: none
+  SlurmProvider:
+    partition: "cpu"
+    account: "p******"
+    nodes_per_block: 1
+    cores_per_node: 128
+    init_blocks: 0
+    min_blocks: 0
+    max_blocks: 98
+    walltime: "48:00:00"
+    exclusive: false
+    scheduler_options: "#SBATCH --qos=default\n"
+...