I could not attach the files, hence pasting the content below:
-- The C compiler identification is Intel 18.0.5.20180823
-- The CXX compiler identification is Intel 18.0.5.20180823
-- The Fortran compiler identification is Intel 18.0.5.20180823
-- Check for working C compiler: /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiicc
-- Check for working C compiler: /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiicc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiicpc
-- Check for working CXX compiler: /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiicpc -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Check for working Fortran compiler: /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiifort
-- Check for working Fortran compiler: /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiifort supports Fortran 90
-- Checking whether /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiifort supports Fortran 90 -- yes
Linker seems OK
-- Found Doxygen: /usr/bin/doxygen (found version "1.8.5") found components: doxygen dot
Intel Fortran detected
-- Found LibXml2: /usr/lib64/libxml2.so (found version "2.9.1")
XML Library found for linking:TRUE
XML Library found for C:TRUE
LAPACK Library found:TRUE
sched.h used
MPI Library found:TRUE
FFT from MKL found:TRUE
FFT from FFTW found:FALSE
PROGRESS_THREAD :TRUE
Change Dir: /home/vikask/softwares/FLEUR/New_FLEUR/fleur/build/CMakeFiles/CMakeTmp
Run Build Command(s):/usr/bin/gmake cmTC_ae479/fast
/usr/bin/gmake -f CMakeFiles/cmTC_ae479.dir/build.make CMakeFiles/cmTC_ae479.dir/build
gmake[1]: Entering directory `/home/vikask/softwares/FLEUR/New_FLEUR/fleur/build/CMakeFiles/CMakeTmp'
Building C object CMakeFiles/cmTC_ae479.dir/test_prog.c.o
/opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiicc -I/usr/include/libxml2 -o CMakeFiles/cmTC_ae479.dir/test_prog.c.o -c /home/vikask/softwares/FLEUR/New_FLEUR/fleur/cmake/tests/test_prog.c
Linking C executable cmTC_ae479
/home/opt_ohpc_pub/utils/cmake/3.14.3/bin/cmake -E cmake_link_script CMakeFiles/cmTC_ae479.dir/link.txt --verbose=1
/opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiicc -I/usr/include/libxml2 -rdynamic CMakeFiles/cmTC_ae479.dir/test_prog.c.o -o cmTC_ae479
gmake[1]: Leaving directory `/home/vikask/softwares/FLEUR/New_FLEUR/fleur/build/CMakeFiles/CMakeTmp'
SpFFT found:FALSE
HDF5 Library found:FALSE
Wannier90 1.2 Library found:FALSE
Magma test:-lmagma
Magma test:-L;-lmagma
MAGMA Library found:FALSE
You asked for LibXC support but cmake couldn't find it. We will try to download and compile along with FLEUR
-- Found Git: /usr/bin/git (found version "1.8.3.1")
libxc was patched
-- Setting option CMAKE_BUILD_TYPE: Release
-- Setting (unspecified) option BUILD_SHARED_LIBS: OFF
-- Setting (unspecified) option BUILD_TESTING: ON
-- Setting (unspecified) option BUILD_FPIC: ON
-- Setting (unspecified) option NAMESPACE_INSTALL_INCLUDEDIR: /
-- Setting (unspecified) option ENABLE_GENERIC: OFF
-- Setting (unspecified) option ENABLE_XHOST: ON
-- Performing Test CMAKE_C_FLAGS [-xHost] - Success, Appending
-- Performing Test CMAKE_CXX_FLAGS [-xHost] - Success, Appending
-- Performing Test CMAKE_Fortran_FLAGS [-xHost] - Success, Appending
-- Setting option ENABLE_FORTRAN: ON
-- Setting (unspecified) option DISABLE_VXC: OFF
-- Setting (unspecified) option DISABLE_FXC: OFF
-- Setting (unspecified) option DISABLE_KXC: ON
-- Setting (unspecified) option DISABLE_LXC: ON
-- Performing Test standard_math_library_linked_to_automatically
-- Performing Test standard_math_library_linked_to_automatically - Success
-- Performing Test HAVE_CBRT
-- Performing Test HAVE_CBRT - Success
-- Version: Full 5.0.0
-- SO Version: Full 9:0:0 Major 9
-- Found Perl: /usr/bin/perl (found version "5.16.3")
perl: warning: Setting locale failed.
perl: warning: Please check that your locale settings:
LANGUAGE = (unset),
LC_ALL = "",
LC_CTYPE = "UTF-8",
LC_MESSAGES = "",
LANG = "en_US.UTF-8"
are supported and installed on your system.
perl: warning: Falling back to the standard locale ("C").
Libxc Library found:TRUE
ARPACK Library found:TRUE
EDsolver Library found:FALSE
Test for SCALAPACK with:-lmkl_scalapack_lp64;-lmkl_blacs_intelmpi_lp64
SCALAPACK Library found:TRUE
ELPA Library found:FALSE
ChASE Library found:FALSE
compile_date="2021-04-18T16:03:15"
compile_user="vikask"
compile_host="login2"
gitdesc="MaX-R5.1-5-gcd10be1"
gitbranch="release"
githash="cd10be10f4a7dc8a6f716228852ab055ed5014fa"
/usr/bin/docker->fleur_MPI
^[[1;31m
************************Summary***************************^[[m
^[[32mCompiler : ^[[m /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/bin/mpiifort
^[[32mCompiler ID: ^[[m Intel
^[[32mFlags : ^[[m -I/opt/ohpc/pub/libs/gnu8/hdf5/1.10.5/include -mkl -mkl -qopenmp -assume byterecl -no-wrap-margin -r8 -qopenmp -I/home/vikask/softwares/FLEUR/New_FLEUR/fleur/build/external/libxc-git
^[[32mUse OpenMP : ^[[m ON
^[[32mLibraries : ^[[m -lmkl_scalapack_lp64;-lmkl_blacs_intelmpi_lp64;-L/opt/ohpc/pub/libs/gnu8/hdf5/1.10.5/lib;-L/opt/ohpc/pub/libs/gnu8/hdf5/1.10.5/lib;/usr/lib64/libxml2.so
^[[31mThese Libraries are required:^[[m
^[[32m XML Library found : ^[[m TRUE
^[[32m LAPACK Library found : ^[[m TRUE
^[[31mThese Libraries are optional:^[[m
^[[32m ELPA (one node) Library found : ^[[m
^[[32m FFT from MKL found : ^[[m TRUE
^[[32m FFT from FFTW found : ^[[m FALSE
^[[32m SpFFT found : ^[[m FALSE
^[[32m LibXC Library found : ^[[m TRUE
^[[32m HDF5 Library found : ^[[m FALSE
^[[32m Wannier90 1.2 Library found : ^[[m FALSE
^[[32m Wannier90-4 Library found : ^[[m
^[[32m Wannier90-5 Library found : ^[[m
^[[32m EDSolver Library found : ^[[m FALSE
^[[32m MAGMA Library found : ^[[m FALSE
^[[32m progress thread compiled : ^[[m TRUE
^[[32m MPI Library found : ^[[m TRUE
^[[32m SCALAPACK Library found : ^[[m TRUE
^[[32m ELPA Library found : ^[[m FALSE
^[[32m ChASE Library found : ^[[m FALSE
^[[32m Compile GPU version : ^[[m FALSE
^[[32mCompile serial version : ^[[m FALSE
^[[32mCompile parallel version : ^[[m TRUE
^[[32mGit describe : ^[[mMaX-R5.1-5-gcd10be1
^[[32mGit hash : ^[[mcd10be10f4a7dc8a6f716228852ab055ed5014fa
^[[32mDoxygen found : ^[[mYES
^[[1;31m************************-------***************************^[[m
-- Configuring done
-- Generating done
-- Build files have been written to: /home/vikask/softwares/FLEUR/New_FLEUR/fleur/build
*****************************************************
ldd_FLEUR output pasted below:
linux-vdso.so.1 => (0x00007ffc52f95000)
libmkl_intel_lp64.so => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mkl/lib/intel64/libmkl_intel_lp64.so (0x00007ff772d27000)
libmkl_intel_thread.so => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mkl/lib/intel64/libmkl_intel_thread.so (0x00007ff7708fc000)
libmkl_core.so => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mkl/lib/intel64/libmkl_core.so (0x00007ff76c8af000)
libiomp5.so => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/compiler/lib/intel64/libiomp5.so (0x00007ff76c4cc000)
libmkl_scalapack_lp64.so => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mkl/lib/intel64/libmkl_scalapack_lp64.so (0x00007ff76bbcb000)
libmkl_blacs_intelmpi_lp64.so => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.so (0x00007ff76b989000)
libxml2.so.2 => /lib64/libxml2.so.2 (0x00007ff76b61f000)
libirng.so => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/compiler/lib/intel64/libirng.so (0x00007ff76b2ab000)
libcilkrts.so.5 => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/compiler/lib/intel64/libcilkrts.so.5 (0x00007ff76b06e000)
libstdc++.so.6 => /opt/ohpc/pub/compiler/gcc/8.3.0/lib64/libstdc++.so.6 (0x00007ff76aceb000)
libmpifort.so.12 => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/lib/libmpifort.so.12 (0x00007ff76a942000)
libmpi.so.12 => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/mpi/intel64/lib/release/libmpi.so.12 (0x00007ff769ce6000)
libdl.so.2 => /lib64/libdl.so.2 (0x00007ff769ae2000)
librt.so.1 => /lib64/librt.so.1 (0x00007ff7698da000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x00007ff7696be000)
libm.so.6 => /lib64/libm.so.6 (0x00007ff7693bc000)
libc.so.6 => /lib64/libc.so.6 (0x00007ff768fee000)
libgcc_s.so.1 => /opt/ohpc/pub/compiler/gcc/8.3.0/lib64/libgcc_s.so.1 (0x00007ff768dd6000)
/lib64/ld-linux-x86-64.so.2 (0x00007ff773837000)
libz.so.1 => /lib64/libz.so.1 (0x00007ff768bc0000)
liblzma.so.5 => /lib64/liblzma.so.5 (0x00007ff76899a000)
libintlc.so.5 => /opt/ohpc/pub/intel2018/compilers_and_libraries_2018.5.274/linux/compiler/lib/intel64/libintlc.so.5 (0x00007ff76872c000)