Installation issue

[YuanbinLiu]

Hi, I am just trying to compile the nequip package with lammps. But ran into the following issue, could you give me any ideas about this issue?

[100%] Linking CXX executable lmp
ld.lld: error: /u/envs/lammps/lib/python3.10/site-packages/torch/lib/libc10.so: undefined reference to pthread_setname_np [--no-allow-shlib-undefined]
clang-13: error: linker command failed with exit code 1 (use -v to see invocation)
make[2]: *** [CMakeFiles/lmp.dir/build.make:111: lmp] Error 1
make[1]: *** [CMakeFiles/Makefile2:190: CMakeFiles/lmp.dir/all] Error 2
make: *** [Makefile:136: all] Error 2

[Linux-cpp-lisp]

Hi @YuanbinLiu ,

I've never seen anything like this before, but it looks like a version issue / incompatibility between PyTorch and your system unrelated to pair_nequip. It is sometimes necessary to build libtorch from source if the libraries on your system are not compatible with the prebuilt binaries from PyTorch.