Comments (5)
Hard to know without a full stack trace from one of the tests, but I suspect ferminet needs a python 3.10 or 3.11 (I don't have versions older than 3.11 to hand to check, unfortunately).
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Hi I have updated python to 3.10.6, but new error occurs in ferminet/tests/train_test.py.
======================================================================= short test summary info =======================================================================FAILED ferminet/tests/train_test.py::QmcTest::test_training_step0 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcTest::test_training_step1 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcTest::test_training_step4 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcTest::test_training_step5 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcTest::test_training_step8 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcPyscfMolTest::test_schnet_training_step0 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcPyscfMolTest::test_schnet_training_step1 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcPyscfMolTest::test_schnet_training_step2 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcPyscfMolTest::test_schnet_training_step3 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcPyscfMolTest::test_schnet_training_step4 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
FAILED ferminet/tests/train_test.py::QmcPyscfMolTest::test_training_step_pyscf1 - TypeError: RepeatedDenseBlock.update_curvature_matrix_estimate() missing 1 required positional argument: 'pmap_axis_name'
from ferminet.
This is due to a minor API change in KFAC. I pushed an update fixing this.
from ferminet.
Thanks a lot, it is solved. But one more interesting thing I would like to know is that in which part of the code represents the optimization of the wave function (because I am majoring in Computer Science so I cannot fully understand the paper and the code).
Many Thanks!
from ferminet.
The training loop is in ferminet/train.py
- the training step with KFAC is created in make_kfac_training_step
[https://github.com/deepmind/ferminet/blob/main/ferminet/train.py#L280], though the training step using optax optimizers are more accessible if you wish to read the entire code.
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