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conda problems with neighbors_convert_cpp #14

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DavideTisi opened this issue Jun 13, 2024 · 0 comments
Open

conda problems with neighbors_convert_cpp #14

DavideTisi opened this issue Jun 13, 2024 · 0 comments

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@DavideTisi
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on the branch
on the neighbors_convert_cpp branch using conda I can install pet but then i have this error

Failed to load neighbors_convert.so: /scratch/tisi/halides/pet/simulation/3model/AdvMat2024/600K_ClBrIF_metal/<contextlib._GeneratorContextManager object at 0x7f0cfcc49490>: cannot open shared object file: No such file or directory
Traceback (most recent call last):
  File "/home/tisi/miniconda3/envs/pet/lib/python3.9/site-packages/torch/_ops.py", line 757, in __getattr__
    op, overload_names = torch._C._jit_get_operation(qualified_op_name)
RuntimeError: No such operator neighbors_convert::process

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "/home/tisi/ipi-test-paper/i-pi/drivers/py/driver.py", line 237, in <module>
    run_driver(
  File "/home/tisi/ipi-test-paper/i-pi/drivers/py/driver.py", line 130, in run_driver
    pot, force, vir, extras = driver(cell, pos)
  File "/home/tisi/ipi-test-paper/i-pi/drivers/py/pes/pet.py", line 94, in __call__
    pot, force = self.pet_calc.forward(pet_structure)
  File "/home/tisi/miniconda3/envs/pet/lib/python3.9/site-packages/pet/single_struct_calculator.py", line 74, in forward
    graph = molecule.get_graph(
  File "/home/tisi/miniconda3/envs/pet/lib/python3.9/site-packages/pet/molecule.py", line 241, in get_graph
    neighbors_index, relative_positions, nums, mask, neighbor_species, neighbors_pos, species_mapped = torch.ops.neighbors_convert.process(self.i_list, self.j_list, self.S_list, self.D_list, max_num, n_atoms, self.species, all_species)
  File "/home/tisi/miniconda3/envs/pet/lib/python3.9/site-packages/torch/_ops.py", line 761, in __getattr__
    raise AttributeError(
AttributeError: '_OpNamespace' 'neighbors_convert' object has no attribute 'process'
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