deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
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Compiling failure when DEBUG_INFO=ON due to module_vdw #5555

Open dyzheng opened 1 day ago

dyzheng commented 1 day ago

Describe the bug

The compiling with Intel-oneAPI failed with the endless process of vdwd3 related code. After ##5517 this failure still not solved.

I plan to fix this bug with another PR.

Expected behavior

No response

To Reproduce

No response

Environment

No response

Additional Context

No response

Task list for Issue attackers (only for developers)

kirk0830 commented 1 day ago

strange... I test the compilation with -DDEBUG_INFO=ON, the configuration stdout is:

root@bohrium-16047-1224486:/abacus-develop# cmake -B build -DDEBUG_INFO=ON
-- The CXX compiler identification is IntelLLVM 2024.2.1
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /opt/intel/oneapi/mpi/latest/bin/mpiicpx - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found Git: /usr/bin/git (found version "2.34.1") 
-- Found git: attempting to get commit info...
-- Current commit hash: a6d0ba1
-- Last commit date: Thu Nov 21 11:22:35 2024 +0800
-- Found Cereal: /usr/include  
-- Could NOT find PkgConfig (missing: PKG_CONFIG_EXECUTABLE) 
-- ELPA : We need pkg-config to get all information about the elpa library
-- Found ELPA: /usr/local/lib/libelpa_openmp.so  
-- Performing Test ELPA_VERSION_SATISFIES
-- Performing Test ELPA_VERSION_SATISFIES - Success
-- Found MPI_CXX: /opt/intel/oneapi/mpi/latest/bin/mpiicpx (found version "3.1") 
-- Found MPI: TRUE (found version "3.1")  
-- Looking for C++ include pthread.h
-- Looking for C++ include pthread.h - found
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success
-- Found Threads: TRUE  
-- Found OpenMP_CXX: -fiopenmp  
-- Found OpenMP: TRUE   
-- Looking for a CUDA compiler
-- Looking for a CUDA compiler - NOTFOUND
-- MKL_VERSION: 2024.2.0
-- MKL_ROOT: /opt/intel/oneapi/mkl/latest
-- MKL_ARCH: None, set to ` intel64` by default
-- MKL_LINK: None, set to ` dynamic` by default
-- MKL_INTERFACE_FULL: intel_lp64
-- MKL_THREADING: None, set to ` intel_thread` by default
-- MKL_MPI: None, set to ` intelmpi` by default
-- Found /opt/intel/oneapi/mkl/latest/lib/libmkl_scalapack_lp64.so
-- Found /opt/intel/oneapi/mkl/latest/lib/libmkl_cdft_core.so
-- Found /opt/intel/oneapi/mkl/latest/lib/libmkl_intel_lp64.so
-- Found /opt/intel/oneapi/mkl/latest/lib/libmkl_intel_thread.so
-- Found /opt/intel/oneapi/mkl/latest/lib/libmkl_core.so
-- Found /opt/intel/oneapi/mkl/latest/lib/libmkl_blacs_intelmpi_lp64.so
-- Found /opt/intel/oneapi/compiler/latest/lib/libiomp5.so
-- Configuring done
-- Generating done
-- Build files have been written to: /abacus-develop/build

my compilation completes as usual...