You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
# TODO: [BUG] pt: fix torch.cat error in the C++ interface when nloc==0
# when a processor has no atoms, it throws the following errors:
# terminate called after throwing an instance of 'c10::Error'
# what(): torch.cat(): expected a non-empty list of Tensors
# Exception raised from meta at /home/conda/feedstock_root/build_artifacts/libtorch_1706629241544/work/aten/src/ATen/native/TensorShape.cpp:256 (most recent call first):
when a processor has no atoms, it throws the following errors:
terminate called after throwing an instance of 'c10::Error'
what(): torch.cat(): expected a non-empty list of Tensors
Exception raised from meta at /home/conda/feedstock_root/build_artifacts/libtorch_1706629241544/work/aten/src/ATen/native/TensorShape.cpp:256 (most recent call first):
frame #0: c10::Error::Error(c10::SourceLocation, std::__cxx11::basic_string<char, std::char_traits, std::allocator >) + 0xb2 (0x1456de6755d2 in /home/jz748/anaconda3/envs/dp3/bin/../lib/././libc10.so)
frame #1: c10::detail::torchCheckFail(char const*, char const*, unsigned int, char const*) + 0xfa (0x1456de62ad7c in /home/jz748/anaconda3/envs/dp3/bin/../lib/././libc10.so)
frame #2: at::meta::structured_cat::meta(c10::IListRefat::Tensor const&, long) + 0x9dc (0x1456485f6fdc in /home/jz748/anaconda3/envs/dp3/bin/../lib/././libtorch_cpu.so)
frame #3: + 0x2337b7d (0x145649337b7d in /home/jz748/anaconda3/envs/dp3/bin/../lib/././libtorch_cpu.so)
frame #4: + 0x2337c23 (0x145649337c23 in /home/jz748/anaconda3/envs/dp3/bin/../lib/././libtorch_cpu.so)
frame #5: at::_ops::cat::call(c10::IListRefat::Tensor const&, long) + 0x1af (0x145648a1e97f in /home/jz748/anaconda3/envs/dp3/bin/../lib/././libtorch_cpu.so)
frame #6: createNlistTensor(std::vector<std::vector<int, std::allocator >, std::allocator<std::vector<int, std::allocator > > > const&) + 0x405 (0x1456de7a0d65 in /home/jz748/anaconda3/envs/dp3/bin/../lib/./libdeepmd_cc.so)
frame #7: void deepmd::DeepPotPT::compute<double, std::vector<double, std::allocator > >(std::vector<double, std::allocator >&, std::vector<double, std::allocator >&, std::vector<double, std::allocator >&, std::vector<double, std::allocator >&, std::vector<double, std::allocator >&, std::vector<double, std::allocator > const&, std::vector<int, std::allocator > const&, std::vector<double, std::allocator > const&, int, deepmd::InputNlist const&, int const&, std::vector<double, std::allocator > const&, std::vector<double, std::allocator > const&) + 0x52c (0x1456de7a563c in /home/jz748/anaconda3/envs/dp3/bin/../lib/./libdeepmd_cc.so)
frame #8: void deepmd::DeepPotModelDevi::compute(std::vector<double, std::allocator >&, std::vector<std::vector<double, std::allocator >, std::allocator<std::vector<double, std::allocator > > >&, std::vector<std::vector<double, std::allocator >, std::allocator<std::vector<double, std::allocator > > >&, std::vector<std::vector<double, std::allocator >, std::allocator<std::vector<double, std::allocator > > >&, std::vector<std::vector<double, std::allocator >, std::allocator<std::vector<double, std::allocator > > >&, std::vector<double, std::allocator > const&, std::vector<int, std::allocator > const&, std::vector<double, std::allocator > const&, int, deepmd::InputNlist const&, int const&, std::vector<double, std::allocator > const&, std::vector<double, std::allocator > const&) + 0x367 (0x1456de799057 in /home/jz748/anaconda3/envs/dp3/bin/../lib/./libdeepmd_cc.so)
frame #9: void DP_DeepPotModelDeviComputeNList_variant(DP_DeepPotModelDevi*, int, int, double const*, int const*, double const*, int, DP_Nlist const*, int, double const*, double const*, double*, double*, double*, double*, double*) + 0x321 (0x1456f74126e1 in /home/jz748/anaconda3/envs/dp3/bin/../lib/libdeepmd_c.so)
frame #10: LAMMPS_NS::PairDeepMD::compute(int, int) + 0xf2f (0x1456e6c7d21f in /home/jz748/anaconda3/envs/dp3/lib/deepmd_lmp/dpplugin.so)
frame #11: LAMMPS_NS::Verlet::setup(int) + 0x3a2 (0x1456885c2552 in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/../../liblammps.so)
frame #12: LAMMPS_NS::Run::command(int, char**) + 0xa1c (0x14568855969c in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/../../liblammps.so)
frame #13: LAMMPS_NS::Input::execute_command() + 0x76a (0x1456883bb5ba in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/../../liblammps.so)
frame #14: LAMMPS_NS::Input::one(std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&) + 0x97 (0x1456883bc5c7 in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/../../liblammps.so)
frame #15: lammps_command + 0x90 (0x145688408eb0 in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/../../liblammps.so)
frame #16: + 0x6a4a (0x14571dfffa4a in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/../../libffi.so.8)
frame #17: + 0x5fea (0x14571dffefea in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/../../libffi.so.8)
frame #18: + 0x12545 (0x14570d2bf545 in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/_ctypes.cpython-311-x86_64-linux-gnu.so)
frame #19: + 0x8802 (0x14570d2b5802 in /home/jz748/anaconda3/envs/dp3/lib/python3.11/lib-dynload/_ctypes.cpython-311-x86_64-linux-gnu.so)
frame #20: _PyObject_MakeTpCall + 0x253 (0x556477a31323 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #21: _PyEval_EvalFrameDefault + 0x716 (0x556477a3ee36 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #22: _PyFunction_Vectorcall + 0x181 (0x556477a624c1 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #23: _PyEval_EvalFrameDefault + 0x49f9 (0x556477a43119 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #24: + 0x2a442d (0x556477af542d in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #25: PyEval_EvalCode + 0x9f (0x556477af4abf in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #26: + 0x2c2a1a (0x556477b13a1a in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #27: + 0x2be593 (0x556477b0f593 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #28: + 0x2d3930 (0x556477b24930 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #29: _PyRun_SimpleFileObject + 0x1ae (0x556477b242ce in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #30: _PyRun_AnyFileObject + 0x44 (0x556477b23ff4 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #31: Py_RunMain + 0x374 (0x556477b1e6f4 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #32: Py_BytesMain + 0x37 (0x556477ae4a77 in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
frame #33: + 0x27b8a (0x14571e136b8a in /lib64/libc.so.6)
frame #34: __libc_start_main + 0x8b (0x14571e136c4b in /lib64/libc.so.6)
frame #35: + 0x29391d (0x556477ae491d in /home/jz748/anaconda3/envs/dp3/bin/python3.11)
Line: 753
deepmd-kit//source/lmp/tests/test_lammps_pt.py
Lines 750 to 760 in fb61efb
The text was updated successfully, but these errors were encountered: