search

google-deepmind / ferminet

An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
Apache License 2.0
740 stars 129 forks source link

install eeror #36

Closed KingDamLiu closed 3 years ago

KingDamLiu commented 3 years ago

(plm) (ferminet) [liujinde@node02 ferminet-master]$ python -m pytest =========================================================================== test session starts ============================================================================ platform linux -- Python 3.7.3, pytest-6.2.5, py-1.10.0, pluggy-1.0.0 rootdir: /home/liujinde/Dowload/ferminet-master collected 135 items

ferminet/tests/hamiltonian_test.py ..s..s..s...s [ 9%] ferminet/tests/mcmc_test.py ...s [ 12%] ferminet/tests/networks_test.py ...Fatal Python error: Fatal Python error: Fatal Python error: Fatal Python error: Fatal Python error: Fatal Python error: Fatal Python error: Fatal Python error: Segmentation faultSegmentation faultSegmentation faultSegmentation faultSegmentation faultSegmentation faultSegmentation fault

Segmentation fault (core dumped)

jsspencer commented 3 years ago

This is too little information to try to reproduce. Is this with the TF or JAX implementation?

Either way, I suspect the issue is with your TF or JAX installation. Can you check that their tests pass, especially on GPU if you're using a GPU.

KingDamLiu commented 3 years ago

thanks!The problem is be solved!It's because that the version of pyscf package eeror!I installed 2.0 but it's need <2.0.

jsspencer commented 3 years ago

So it is -- I think you're hitting https://github.com/pyscf/pyscf/issues/1095. I can reproduce this (the failing tests are all in train_test.py) once I upgraded pyscf to 2.0, with pyscf installed from PyPI. Using a previous version of pyscf or compiling pyscf from source worked for me.