Compile siesta with intel oneapi on Ubuntu 22.04.3 LTS.
I'm trying to compile the siesta gitlab master version with intel oneapi on Ubuntu 22.04.3 LTS but failed. See below for more details:
werner@X10DAi:~/Public/repo/gitlab.com/siesta-project/siesta.git$ module listCurrently Loaded Modules:
1) lmod 2) oneapi/2022.3.0
werner@X10DAi:~/Public/repo/gitlab.com/siesta-project/siesta.git$ cmake -S. -B_build -DSIESTA_TOOLCHAIN=intel -DSCALAPACK_LIBRARY="-lscalapack-lp64" -DWITH_MPI=on
-- Using GNU compiler
-- Using toolchain: Config/cmake/toolchains/intel.cmake
-- Flags for C-compiler (build type: Release): -O3 -march=native
-- Flags for Fortran-compiler (build type: Release): -O3 -march=native
-- Adding '-fallow-argument-mismatch' for GNU >= 10.0
-- Parsing BLAS options
-- Locating BLAS library
-- Locating BLAS library - found
-- BLAS library: /opt/intel/oneapi/2022.3.0/mkl/2022.2.0/lib/intel64/libmkl_gf_lp64.so;/opt/intel/oneapi/2022.3.0/mkl/2022.2.0/lib/intel64/libmkl_gnu_thread.so;/opt/intel/oneapi/2022.3.0/mkl/2022.2.0/lib/intel64/libmkl_core.so;/usr/lib/gcc/x86_64-linux-gnu/11/libgomp.so;-lm;-ldl
-- BLAS link flags:
-- Parsing LAPACK options
-- Locating LAPACK library
-- Locating LAPACK library - found
-- LAPACK library: /opt/intel/oneapi/2022.3.0/mkl/2022.2.0/lib/intel64/libmkl_gf_lp64.so;/opt/intel/oneapi/2022.3.0/mkl/2022.2.0/lib/intel64/libmkl_gnu_thread.so;/opt/intel/oneapi/2022.3.0/mkl/2022.2.0/lib/intel64/libmkl_core.so;/usr/lib/gcc/x86_64-linux-gnu/11/libgomp.so;-lm;-ldl;-lm;-ldl
-- LAPACK link flags:
-- Parsing ScaLAPACK options
-- Locating ScaLAPACK library
-- Locating ScaLAPACK library - found
-- ScaLAPACK library: -lscalapack-lp64
-- ScaLAPACK link flags:
-- Checking that BLAS library works...
-- Checking that LAPACK library works...
-- Checking that ScaLAPACK library works...
CMake Warning at Config/cmake/SiestaCheckLinalg.cmake:125 (message):
---------------------------------------------ScaLAPACK library cannot link properly Please check the library linking string found or used by CMake---------------------------------------------
Call Stack (most recent call first):
CMakeLists.txt:102 (include)CMake Error at Config/cmake/SiestaCheckLinalg.cmake:130 (message):
*** ScaLAPACK library does not link properly
Call Stack (most recent call first):
CMakeLists.txt:102 (include)-- Configuring incomplete, errors occurred!
See also "/home/werner/Public/repo/gitlab.com/siesta-project/siesta.git/_build/CMakeFiles/CMakeOutput.log".
See also "/home/werner/Public/repo/gitlab.com/siesta-project/siesta.git/_build/CMakeFiles/CMakeError.log".
Any tips for fixing this problem will be helpful.
Regards,
Zhao
Edited by hongyi-zhao