diff --git a/mace/tools/model_script_utils.py b/mace/tools/model_script_utils.py index 53c71eaa6..7c2d76fb6 100644 --- a/mace/tools/model_script_utils.py +++ b/mace/tools/model_script_utils.py @@ -28,10 +28,12 @@ def configure_model( if compute_virials: args.compute_virials = True - args.error_table = "PerAtomRMSEstressvirials" elif compute_stress: args.compute_stress = True - args.error_table = "PerAtomRMSEstressvirials" + + if compute_virials or compute_stress: + if args.error_table in ['PerAtomRMSE','PerAtomMAE','TotalRMSE', 'TotalMAE']: + args.error_table = "PerAtomRMSEstressvirials" if 'RMSE' in args.error_table else 'PerAtomMAEstressvirials' output_args = { "energy": args.compute_energy,