Config for local execution #35
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Initially, it seemed easier to just force |
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So, to answer your question: it is not possible to train on cpus because that will only happen in debug scenarios, but in debug scenarios you really shouldn't be calling |
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Thanks, that is clear. |
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I am trying to run psiflow locally. I tried to not provide a config.yaml file, but that lead to ModuleNotFoundErrors, because it did not have the modules installed that were necessary to run certain apps.
So, I slightly modified the wq.yaml;
parsl_log_level: WARNING
default_threads: 4
container_engine: 'apptainer'
container_uri: 'oras://ghcr.io/molmod/psiflow:v4.0.0-rc1_rocm5.6'
ModelEvaluation:
cores_per_worker: 4
gpu: false
ModelTraining:
cores_per_worker: 4
gpu: true
max_training_time: 1
max_workers: 1
CP2K:
cores_per_worker: 2
max_evaluation_time: 0.3
launch_command: 'apptainer exec -e --no-init oras://ghcr.io/molmod/cp2k:2023.2 /opt/entry.sh mpirun -np 2 -x OMP_NUM_THREADS=1 cp2k.psmp'
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I get an assertion error if I set "gpu: false" in ModelTraining. Is it not possible to train (for debug purposes) on cpus?
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