diff --git a/configs/hortense.yaml b/configs/hortense.yaml index 0141e6d..330ea83 100644 --- a/configs/hortense.yaml +++ b/configs/hortense.yaml @@ -1,7 +1,7 @@ --- parsl_log_level: WARNING container_engine: 'apptainer' -container_uri: 'oras://ghcr.io/molmod/psiflow:main_cu118' +container_uri: 'oras://ghcr.io/molmod/psiflow:4.0.0-rc0_cu118' default_threads: 8 ModelEvaluation: cores_per_worker: 12 diff --git a/configs/lumi.yaml b/configs/lumi.yaml index e041967..b7102c0 100644 --- a/configs/lumi.yaml +++ b/configs/lumi.yaml @@ -1,7 +1,7 @@ --- parsl_log_level: WARNING container_engine: 'singularity' -container_uri: 'oras://ghcr.io/molmod/psiflow:main_rocm5.6' +container_uri: 'oras://ghcr.io/molmod/psiflow:4.0.0-rc0_rocm5.6' default_threads: 8 CP2K: cores_per_worker: 32