diff --git a/eb_hooks.py b/eb_hooks.py index 6855ae36..feb65b1a 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -1703,9 +1703,6 @@ def set_maximum(parallel, max_value): # Deucalion has 32GB HBM for 48 cores per node CPU_TARGET_A64FX: (divide_by_factor, 4), # software-specific limits - 'CP2K': { - CPU_TARGET_A64FX: (set_maximum, 6), - }, 'libxc': { '*': (divide_by_factor, 2), CPU_TARGET_A64FX: (set_maximum, 12), @@ -1713,6 +1710,9 @@ def set_maximum(parallel, max_value): 'MBX': { '*': (divide_by_factor, 2), }, + 'QuantumESPRESSO': { + CPU_TARGET_A64FX: (set_maximum, 6), + }, 'TensorFlow': { '*': (divide_by_factor, 2), CPU_TARGET_A64FX: (set_maximum, 8),