Chun Cai

@kogareru1z Please attach the full command line and output using text.

> > @kogareru1z Please attach the full command line and output using text. > > command：CXX=icpx cmake -B build -DUSE_CUDA=1 [CMakeError.log](https://github.com/deepmodeling/abacus-develop/files/15103889/CMakeError.log) [CMakeOutput.log](https://github.com/deepmodeling/abacus-develop/files/15103890/CMakeOutput.log) In CMakeError.log: ``` /usr/local/cuda-12.3/bin/../targets/x86_64-linux/include/crt/host_config.h:124:2: error: -- unsupported Intel...

@kogareru1z Please follow [the docs](https://abacus.deepmodeling.com/en/latest/quick_start/easy_install.html#install-requirements) regarding install requirements (including ELPA) by apt - there's no need to use Intel toolkit (including MKL) for building ABACUS, since the requirements are already...

> @ignisfatuus28 default compiler for intel-toolchain is `icx` and `icpx`, which may cause problem. You can change it to traditional `icc` and `icpc` by specify `--with-intel-classic=yes` in `toolchain_intel.sh`. Also you...

@kirk0830 Those files are added at https://github.com/deepmodeling/abacus-develop/blob/2b254b5c0b56a09d4be32135bce4870e421f89d4/tests/integrate/CMakeLists.txt#L16 to compare some values. It's OK to put them under `build/`.

> -fopenmp=libomp -O3 -DNDEBUG @yizeyi18 Using `-DNDEBUG` suppresses all assertions. You could remove that statement and try again.

@yizeyi18 Sure!

> hangs at test 154 `HSolver_bpcg` Hi @yizeyi18 , I suggest submitting a new issue on this. It would be better if you can locate the codes that hangs.

@yizeyi18 I considered it to be a bug, and let's discuss it in a new issue.

When I try to reproduce the issue using the latest intel image, there is a segfault error. `[ 396.130777] abacus[2368]: segfault at 7fff8d837608 ip 00007f22e5270f9a sp 00007fff8d837610 error 6 in...