Cannot compile with previous command after #4613

[maki49]

Describe the bug

Since 9350441 (#4613), an error occurs when I compile ABACUS with the previous command:

-- Found git: attempting to get commit info...
-- Current commit hash: 9350441c7
-- Last commit date: Wed Jul 10 21:28:59 2024 +0800
-- CUDA components detected, but USE_CUDA is set to OFF. NOT building CUDA version of ABACUS.
-- MKL_ARCH: intel64
-- MKL_LINK: dynamic
CMake Error at /usr/local/lib/cmake/mkl-2023.1.0/MKLConfig.cmake:103 (message):
  Invalid MKL_INTERFACE_FULL `intel_lp64`, options are: intel_ilp64
Call Stack (most recent call first):
  /usr/local/lib/cmake/mkl-2023.1.0/MKLConfig.cmake:168 (mkl_message)
  /usr/local/lib/cmake/mkl-2023.1.0/MKLConfig.cmake:296 (define_param)
  cmake/FindMKL.cmake:7 (find_package)
  CMakeLists.txt:398 (find_package)


-- Configuring incomplete, errors occurred!
See also "/home/fortneu49/abacus-develop/build/CMakeFiles/CMakeOutput.log".

Command:

cmake -B build -DCMAKE_CXX_COMPILER=icpx -DMPI_CXX_COMPILER=mpiicpc -DELPA_DIR=/home/fortneu49/soft/elpa/2021.05.002 -DCereal_INCLUDE_DIR=/home/fortneu49/soft/cereal/include -DBUILD_TESTING=1 -DENABLE_LIBXC=1 -DENABLE_LIBRI=1 && cmake --build build   -j32

@caic99 How should I adjust my command after your fix?

[caic99]

@maki49 I'm not sure. How did you install MKL?

[maki49]

Seems I'm using MKL with oneAPI, there's a mkl_link_tool file in /opt/intel/oneapi/mkl/2023.1.0/bin/intel64.
mkl_link_tool -v returns:

    Intel(R) oneAPI Math Kernel Library (oneMKL) Link Tool v6.3
    ===========================================================

Unknown mode. Specify -libs, -opts, -env or compilation line

Configuration
=============

OS:                     lnx
Architecture:           intel64
Compiler:               intel_f
Linking:                dynamic
Interface layer:        lp64
Parallel:               yes
OpenMP library:         iomp5

[caic99]

@maki49 would you attach the MKLConfig.cmake file mentioned above? thanks.

[Qianruipku]

I cannot compile, either.

[maki49]

CMakeOutput.log

[maki49]

@maki49 would you attach the MKLConfig.cmake file mentioned above? thanks.

I find the MKLConfig.cmake file in /opt/intel/oneapi/mkl/2023.1.0/lib/cmake/mkl/. How to attach it?

[caic99]

I find the MKLConfig.cmake file in /opt/intel/oneapi/mkl/2023.1.0/lib/cmake/mkl/. How to attach it?

"Attach files" button

[maki49]

MKLConfig.cmake.txt

(I add the suffix .txt because .cmake file is not supported.)

[caic99]

MKLConfig.cmake.txt

@maki49 I'm unable to download that file - it shows "not found". Could you please retry uploading the file?

[caic99]

/usr/local/lib/cmake/mkl-2023.1.0/MKLConfig.cmake:103

@maki49 Hold on - why this file is both under /usr/local/lib and /opt/intel? I guess there might be something wrong with your installation.

[maki49]

MKLConfig.cmake.txt

There seems nothing different between the two files