Problem with compilaton, MPIIFORT fails tests, PCMSOLVER doens't compile
Dear developers,
I have an issue with Dalton's ./configure script detecting that the MPI Fortran compiler does not work properly:
FC=mpifort CC=gcc CXX=g++ cmake -DENABLE_MPI=ON -DENABLE_SGI_MPT=OFF -DENABLE_64BIT_INTEGERS=OFF -DENABLE_STATIC_LINKING=OFF -DENABLE_AUTO_BLAS=ON -DENABLE_AUTO_LAPACK=ON -DMKL_FLAG="-mkl=sequential" -DENABLE_AUTO_BLAS=OFF -DENABLE_AUTO_LAPACK=OFF -DCMAKE_INSTALL_PREFIX=/public/igors -DCMAKE_BUILD_TYPE=release -DENABLE_PCMSOLVER=ON -DZLIB_ROOT=/home/igors/zlib-1.2.11 /public/dalton
-- Enable srdft module
-- User set explicit MKL flag which is passed to the compiler and linker: -mkl=sequential
-- This disables math detection and builtin math libraries
-- Setting -DHAVE_MKL_BLAS and -DHAVE_MKL_LAPACK
**-- WARNING: compatible Fortran mpi module not found, will use mpif.h instead
(mpif.h should work also if mpi and code are not using same default integer - 32bit vs. 64bit)**``
-- found an MPI 3 compatible MPI lib, setting -DVAR_HAVE_MPI3
-- GIT_BRANCH : master
/public/dalton/build/external/pcmsolver/install/lib/libpcm.a;/home/igors/zlib-1.2.11/libz.so
-- System : Linux
-- Processor type : x86_64
-- Fortran compiler flags: -fpp -assume byterecl -DVAR_IFORT -mkl=sequential -O3 -ip -diag-disable 8290 -diag-disable 8291
-- C compiler flags : -std=c99 -DRESTRICT=restrict -DFUNDERSCORE=1 -DHAVE_NO_LSEEK64 -ffloat-store -Wall -m64 -O3 -ffast-math -funroll-loops -ftree-vectorize -Wno-unused
-- Libraries : /public/dalton/build/external/lib/libqfitlib.a;/public/dalton/build/lib64/libPElib.a;-mkl=sequential
-- Definitions : MOD_SRDFT;SYS_LINUX;SYS_UNIX;VAR_IFORT;HAVE_MKL_BLAS;HAVE_MKL_LAPACK;VAR_MPI;VAR_HAVE_MPI3;BUILD_GEN1INT;BUILD_QFITLIB;VAR_MFDS;_FILE_OFFSET_BITS=64;IMPLICIT_NONE;BINARY_INFO_AVAILABLE;INSTALL_BASDIR="/public/dalton/build/basis";HAS_PCMSOLVER;INSTALL_WRKMEM=64000000;INSTALL_MMWORK=1;BUILD_PELIB;BUILD_QFITLIB
**-- The Fortran compiler identification is Intel 17.0.8.20180907**
-- The C compiler identification is GNU 4.8.5
-- The CXX compiler identification is GNU 4.8.5
**-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90 -- yes**
-- Check for working C compiler: /usr/bin/gcc
-- Check for working C compiler: /usr/bin/gcc -- 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: /usr/bin/g++
-- Check for working CXX compiler: /usr/bin/g++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found MPI_C: /opt/openmpi-2.1.6/lib/libmpi.so
-- Found MPI_CXX: /opt/openmpi-2.1.6/lib/libmpi.so
**-- Found MPI_Fortran: /opt/openmpi-2.1.6/lib/libmpi_usempif08.so;/opt/openmpi-2.1.6/lib**/libmpi_usempi_ignore_tkr.so;/opt/openmpi-2.1.6/lib/libmpi_mpifh.so;/opt/openmpi-2.1.6/lib/libmpi.so
-- Performing Test MPI_COMPATIBLE
-- Performing Test MPI_COMPATIBLE - Success
**-- Performing Test MPI_F90_I4
-- Performing Test MPI_F90_I4 - Failed
-- Performing Test MPI_F90_I8
-- Performing Test MPI_F90_I8 - Failed**
-- Performing Test ENABLE_MPI3_FEATURES
-- Performing Test ENABLE_MPI3_FEATURES - Success
-- Found Git: /usr/bin/git
-- PCMSolver not found. The pre-packaged version will be built.
-- Polarizable Continuum Model via PCMSolver ENABLED
-- Configuring done
-- Generating done
-- Build files have been written to: /public/dalton/build
configure step is done
now you need to compile the sources:
$ cd build
$ make
Subsequently, make fails when trying to configure PCMSOLVER:
[ 4%] Performing download step (git clone) for 'pcmsolver'
Cloning into 'pcmsolver'...
Note: checking out 'v1.1.0'.
You are in 'detached HEAD' state. You can look around, make experimental
changes and commit them, and you can discard any commits you make in this
state without impacting any branches by performing another checkout.
If you want to create a new branch to retain commits you create, you may
do so (now or later) by using -b with the checkout command again. Example:
git checkout -b new_branch_name
HEAD is now at c6e7d3a... Update CHANGELOG.md
[ 4%] No patch step for 'pcmsolver'
[ 5%] Performing update step for 'pcmsolver'
[ 5%] Performing configure step for 'pcmsolver'
-- The C compiler identification is Intel 17.0.8.20180907
-- The CXX compiler identification is Intel 17.0.8.20180907
-- Check for working C compiler: /opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicc
-- Check for working C compiler: /opt/intel/compilers_and_libraries_2017.8.262/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/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicpc
-- Check for working CXX compiler: /opt/intel/compilers_and_libraries_2017.8.262/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
-- The Fortran compiler identification is Intel 17.0.8.20180907
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90 -- yes
-- Detecting Fortran/C Interface
-- Detecting Fortran/C Interface - Found GLOBAL and MODULE mangling
-- Verifying Fortran/CXX Compiler Compatibility
-- Verifying Fortran/CXX Compiler Compatibility - Failed
CMake Error at /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface.cmake:382 (message):
The Fortran compiler:
/opt/openmpi-2.1.6/bin/mpifort
and the CXX compiler:
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicpc
failed to compile a simple test project using both languages. The output
was:
Change Dir: /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX
Run Build Command:"/usr/bin/gmake"
gmake[3]: Entering directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
/home/igors/cmake372/bin/cmake -H/home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify -B/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX --check-build-system CMakeFiles/Makefile.cmake 0
/home/igors/cmake372/bin/cmake -E cmake_progress_start /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX/CMakeFiles /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX/CMakeFiles/progress.marks
/usr/bin/gmake -f CMakeFiles/Makefile2 all
gmake[4]: Entering directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
/usr/bin/gmake -f CMakeFiles/VerifyFortran.dir/build.make CMakeFiles/VerifyFortran.dir/depend
gmake[5]: Entering directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
cd /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX && /home/igors/cmake372/bin/cmake -E cmake_depends "Unix Makefiles" /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX/CMakeFiles/VerifyFortran.dir/DependInfo.cmake
Scanning dependencies of target VerifyFortran
gmake[5]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
/usr/bin/gmake -f CMakeFiles/VerifyFortran.dir/build.make CMakeFiles/VerifyFortran.dir/requires
gmake[5]: Entering directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
gmake[5]: Nothing to be done for `CMakeFiles/VerifyFortran.dir/requires'.
gmake[5]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
/usr/bin/gmake -f CMakeFiles/VerifyFortran.dir/build.make CMakeFiles/VerifyFortran.dir/build
gmake[5]: Entering directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
[ 16%] Building Fortran object CMakeFiles/VerifyFortran.dir/VerifyFortran.f.o
/opt/openmpi-2.1.6/bin/mpifort -DVERIFY_CXX -I/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX -O3 -c /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify/VerifyFortran.f -o CMakeFiles/VerifyFortran.dir/VerifyFortran.f.o
[ 33%] Linking Fortran static library libVerifyFortran.a
/home/igors/cmake372/bin/cmake -P CMakeFiles/VerifyFortran.dir/cmake_clean_target.cmake
/home/igors/cmake372/bin/cmake -E cmake_link_script CMakeFiles/VerifyFortran.dir/link.txt --verbose=1
/usr/bin/ar qc libVerifyFortran.a CMakeFiles/VerifyFortran.dir/VerifyFortran.f.o
/usr/bin/ranlib libVerifyFortran.a
gmake[5]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
[ 33%] Built target VerifyFortran
/usr/bin/gmake -f CMakeFiles/VerifyFortranC.dir/build.make CMakeFiles/VerifyFortranC.dir/depend
gmake[5]: Entering directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
cd /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX && /home/igors/cmake372/bin/cmake -E cmake_depends "Unix Makefiles" /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX/CMakeFiles/VerifyFortranC.dir/DependInfo.cmake
Scanning dependencies of target VerifyFortranC
gmake[5]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
/usr/bin/gmake -f CMakeFiles/VerifyFortranC.dir/build.make CMakeFiles/VerifyFortranC.dir/build
gmake[5]: Entering directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
[ 50%] Building C object CMakeFiles/VerifyFortranC.dir/main.c.o
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicc -DVERIFY_CXX -I/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX -O3 -DNDEBUG -o CMakeFiles/VerifyFortranC.dir/main.c.o -c /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify/main.c
[ 66%] Building C object CMakeFiles/VerifyFortranC.dir/VerifyC.c.o
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicc -DVERIFY_CXX -I/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX -O3 -DNDEBUG -o CMakeFiles/VerifyFortranC.dir/VerifyC.c.o -c /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify/VerifyC.c
[ 83%] Building CXX object CMakeFiles/VerifyFortranC.dir/VerifyCXX.cxx.o
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicpc -DVERIFY_CXX -I/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX -O3 -DNDEBUG -o CMakeFiles/VerifyFortranC.dir/VerifyCXX.cxx.o -c /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface/Verify/VerifyCXX.cxx
[100%] Linking CXX executable VerifyFortranC
/home/igors/cmake372/bin/cmake -E cmake_link_script CMakeFiles/VerifyFortranC.dir/link.txt --verbose=1
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicpc -O3 -DNDEBUG CMakeFiles/VerifyFortranC.dir/main.c.o CMakeFiles/VerifyFortranC.dir/VerifyC.c.o CMakeFiles/VerifyFortranC.dir/VerifyCXX.cxx.o -o VerifyFortranC -L/opt/openmpi-2.1.6/lib libVerifyFortran.a -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lifport -lifcoremt
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommGetAttr_fort'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_failure_get_acked'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_WEIGHTS_EMPTY'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `PMPI_Aint_add'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_NeedInit'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_TypeGetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_Err_create_code'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_UNWEIGHTED'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Keyval_set_proxy'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_IN_PLACE'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_F_ARGVS_NULL'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommSetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Errhandler_set_cxx'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_WinSetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_Err_return_comm'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_UNWEIGHTED'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_Grequest_set_lang_f77'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_revoke'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_TypeSetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_Aint_add'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `i_malloc'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_WinGetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_failure_ack'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_BOTTOM'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `i_realloc'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_WEIGHTS_EMPTY'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_shrink'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_agree'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `PMPI_Aint_diff'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommGetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_Aint_diff'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Op_set_cxx'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_F_ERRCODES_IGNORE'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `mpirinitf_'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `i_free'
gmake[5]: *** [VerifyFortranC] Error 1
gmake[5]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
gmake[4]: *** [CMakeFiles/VerifyFortranC.dir/all] Error 2
gmake[4]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
gmake[3]: *** [all] Error 2
gmake[3]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
Call Stack (most recent call first):
cmake/custom/compilers/Fortran_C.cmake:22 (FortranCInterface_VERIFY)
CMakeLists.txt:27 (include)
-- Configuring incomplete, errors occurred!
See also "/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/CMakeOutput.log".
See also "/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/CMakeError.log".
make[2]: *** [external/pcmsolver/src/pcmsolver-stamp/pcmsolver-configure] Error 1
make[1]: *** [DALTON/pcm/CMakeFiles/pcmsolver.dir/all] Error 2
make: *** [all] Error 2
Before this, there were no errors in make output.
I can post it all if You please:
[lasc114:/public/dalton/build]$ makeScanning dependencies of target check_external_timestamp_gen1int
[ 0%] Built target check_external_timestamp_gen1int
Scanning dependencies of target gen1int
[ 0%] Creating directories for 'gen1int'
[ 0%] Performing download step for 'gen1int'
[ 0%] No patch step for 'gen1int'
[ 0%] No update step for 'gen1int'
[ 0%] Performing configure step for 'gen1int'
-- The C compiler identification is Intel 17.0.8.20180907
-- The Fortran compiler identification is Intel 17.0.8.20180907
-- Check for working C compiler: /opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64 /bin/mpiicc
-- Check for working C compiler: /opt/intel/compilers_and_libraries_2017.8.262/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 Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90 -- yes
-- Configuring done
-- Generating done
-- Build files have been written to: /public/dalton/build/external/gen1int-build
[ 0%] Performing build step for 'gen1int'
Scanning dependencies of target gen1int
[ 0%] Building Fortran object CMakeFiles/gen1int.dir/src/xkind.F90.o
[ 1%] Building Fortran object CMakeFiles/gen1int.dir/src/london_ao.F90.o
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[ 54%] Building Fortran object CMakeFiles/test_gen1int.dir/tools/html_log.F90.o
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[ 59%] Building Fortran object CMakeFiles/test_gen1int.dir/test_f90/recur/recur_nucpot.F90.o
[ 60%] Building Fortran object CMakeFiles/test_gen1int.dir/tools/int_to_str.F90.o
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[ 68%] Building Fortran object CMakeFiles/test_gen1int.dir/test_f90/basic/test_sort_cents.F90.o
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[ 96%] Building Fortran object CMakeFiles/test_gen1int.dir/test_f90/test_gen1int.F90.o
[ 97%] Building Fortran object CMakeFiles/test_gen1int.dir/test_f90/f90mod/test_f90mod_sgto_kinene.F90.o
[ 98%] Building Fortran object CMakeFiles/test_gen1int.dir/test_f90/f90mod/test_f90mod_sgto_carmom.F90.o
[ 99%] Building Fortran object CMakeFiles/test_gen1int.dir/test_f90/f90mod/test_f90mod_sgto_sphmom.F90.o
[100%] Linking Fortran executable test_gen1int
[100%] Built target test_gen1int
[ 1%] Performing install step for 'gen1int'
[ 53%] Built target gen1int
[100%] Built target test_gen1int
Install the project...
-- Install configuration: "release"
-- Installing: /public/dalton/build/external/lib/libgen1int.a
[ 1%] Completed 'gen1int'
[ 1%] Built target gen1int
Scanning dependencies of target gen1int_interface
[ 1%] Building Fortran object gen1int/CMakeFiles/gen1int_interface.dir/gen1int_matrix.F90.o
[ 1%] Building Fortran object gen1int/CMakeFiles/gen1int_interface.dir/gen1int_shell.F90.o
[ 1%] Building Fortran object gen1int/CMakeFiles/gen1int_interface.dir/gen1int_api.F90.o
[ 1%] Building Fortran object gen1int/CMakeFiles/gen1int_interface.dir/gen1int_cube.F90.o
[ 2%] Building Fortran object gen1int/CMakeFiles/gen1int_interface.dir/gen1int_host.F90.o
[ 2%] Linking Fortran static library ../lib/libgen1int_interface.a
[ 2%] Built target gen1int_interface
Scanning dependencies of target check_external_timestamp_pelib
[ 2%] Built target check_external_timestamp_pelib
Scanning dependencies of target pelib
[ 2%] Creating directories for 'pelib'
[ 2%] Performing download step for 'pelib'
[ 3%] No patch step for 'pelib'
[ 3%] No update step for 'pelib'
[ 3%] Performing configure step for 'pelib'
-- The Fortran compiler identification is Intel 17.0.8.20180907
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90 -- yes
-- Using 64-bit real precision.
-- Using 32-bit integer precision.
-- Build type: release
-- Using Gen1Int integral library.
-- Host program set to Dalton.
-- Configuring done
-- Generating done
-- Build files have been written to: /public/dalton/build/external/pelib-build
[ 3%] Performing build step for 'pelib'
Scanning dependencies of target PElib
[ 4%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_precision.F90.o
[ 8%] Building Fortran object CMakeFiles/PElib.dir/src/interfaces/pelib_integral_interfaces.F90.o
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[ 47%] Building Fortran object CMakeFiles/PElib.dir/src/fmm/tensors_damped_thole.F90.o
[ 52%] Building Fortran object CMakeFiles/PElib.dir/src/fmm/fmm.F90.o
[ 56%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_multipole_tools.F90.o
[ 60%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_utils.F90.o
[ 65%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_potential_derivatives.F90.o
/public/dalton/external/pelib/src/pelib_potential_derivatives.F90(371): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [FFD]
subroutine fragment_density_fields(Ffd)
-----------------------------------^
[ 69%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_cavity_generators.F90.o
[ 73%] Building Fortran object CMakeFiles/PElib.dir/src/interfaces/pelib_lapack_interfaces.F90.o
[ 78%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_induced_moments.F90.o
[ 82%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_analysis_tools.F90.o
[ 86%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_operators.F90.o
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[ 95%] Building Fortran object CMakeFiles/PElib.dir/src/pelib_pde.F90.o
/public/dalton/external/pelib/src/pelib_pde.F90(385): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [NUM_BAS]
subroutine pde_get_fragment_density(denmat, num_bas)
--------------------------------------------^
/public/dalton/external/pelib/src/pelib_pde.F90(396): warning #6178: The return value of this FUNCTION has not been defined. [NUM_NUCLEI]
function pde_get_num_core_nuclei() result(num_nuclei)
------------------------------------------^
[100%] Linking Fortran static library lib64/libPElib.a
[100%] Built target PElib
[ 3%] Performing install step for 'pelib'
[100%] Built target PElib
Install the project...
-- Install configuration: "release"
-- Installing: /public/dalton/build/lib64/libPElib.a
-- Installing: /public/dalton/build/include
-- Installing: /public/dalton/build/include/tensors_recursive.mod
-- Installing: /public/dalton/build/include/pelib_operators.mod
-- Installing: /public/dalton/build/include/pelib_constants.mod
-- Installing: /public/dalton/build/include/pelib.mod
-- Installing: /public/dalton/build/include/pelib_potential_derivatives.mod
-- Installing: /public/dalton/build/include/pelib_multipole_tools.mod
-- Installing: /public/dalton/build/include/pelib_lapack_interfaces.mod
-- Installing: /public/dalton/build/include/pelib_mpi.mod
-- Installing: /public/dalton/build/include/pelib_analysis_tools.mod
-- Installing: /public/dalton/build/include/t_tensor_damp_thole.mod
-- Installing: /public/dalton/build/include/t_tensor_damp_erf.mod
-- Installing: /public/dalton/build/include/t_tensor.mod
-- Installing: /public/dalton/build/include/t_tensor_damp_amoeba.mod
-- Installing: /public/dalton/build/include/pelib_options.mod
-- Installing: /public/dalton/build/include/pelib_blas_interfaces.mod
-- Installing: /public/dalton/build/include/pelib_cavity_generators.mod
-- Installing: /public/dalton/build/include/pde_utils.mod
-- Installing: /public/dalton/build/include/pelib_induced_moments.mod
-- Installing: /public/dalton/build/include/pelib_utils.mod
-- Installing: /public/dalton/build/include/pelib_precision.mod
-- Installing: /public/dalton/build/include/pelib_integral_interfaces.mod
-- Installing: /public/dalton/build/include/fmm.mod
[ 3%] Completed 'pelib'
[ 3%] Built target pelib
Scanning dependencies of target pelib_interface
[ 3%] Building Fortran object CMakeFiles/pelib_interface.dir/DALTON/pelib/pelib_interface.F90.o
[ 3%] Linking Fortran static library lib/libpelib_interface.a
[ 3%] Built target pelib_interface
Scanning dependencies of target generate_binary_info
[ 3%] Built target generate_binary_info
Scanning dependencies of target check_external_timestamp_qfitlib
[ 3%] Built target check_external_timestamp_qfitlib
Scanning dependencies of target qfitlib
[ 4%] Creating directories for 'qfitlib'
[ 4%] Performing download step for 'qfitlib'
[ 4%] No patch step for 'qfitlib'
[ 4%] No update step for 'qfitlib'
[ 4%] Performing configure step for 'qfitlib'
-- The Fortran compiler identification is Intel 17.0.8.20180907
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90 -- yes
-- External host program is: DALTON
-- Using Gen1Int integral library.
-- build type is release
-- Found Doxygen: /usr/bin/doxygen (found version "1.8.5")
-- Doxygen found. Run make doc
to make documentation
-- Configuring done
-- Generating done
CMake Warning:
Manually-specified variables were not used by the project:
PARENT_BUILD_TYPE
-- Build files have been written to: /public/dalton/build/external/qfitlib-build
[ 4%] Performing build step for 'qfitlib'
Scanning dependencies of target qfitlib
[ 7%] Building Fortran object CMakeFiles/qfitlib.dir/src/precision.F90.o
[ 14%] Building Fortran object CMakeFiles/qfitlib.dir/src/global_variables.F90.o
[ 21%] Building Fortran object CMakeFiles/qfitlib.dir/src/tensor.f90.o
[ 28%] Building Fortran object CMakeFiles/qfitlib.dir/src/auxmat.f90.o
[ 35%] Building Fortran object CMakeFiles/qfitlib.dir/src/utilities.F90.o
[ 42%] Building Fortran object CMakeFiles/qfitlib.dir/src/connolly.F90.o
[ 50%] Building Fortran object CMakeFiles/qfitlib.dir/src/linear_solver.F90.o
[ 57%] Building Fortran object CMakeFiles/qfitlib.dir/src/pot.f90.o
[ 64%] Building Fortran object CMakeFiles/qfitlib.dir/src/integrals.F90.o
[ 71%] Building Fortran object CMakeFiles/qfitlib.dir/src/io.F90.o
[ 78%] Building Fortran object CMakeFiles/qfitlib.dir/src/input_readers.F90.o
[ 85%] Building Fortran object CMakeFiles/qfitlib.dir/src/qfit.F90.o
[ 92%] Building Fortran object CMakeFiles/qfitlib.dir/src/printpkg.F.o
[100%] Linking Fortran static library libqfitlib.a
[100%] Built target qfitlib
[ 4%] Performing install step for 'qfitlib'
[100%] Built target qfitlib
Install the project...
-- Install configuration: "release"
-- Installing: /public/dalton/build/external/lib/libqfitlib.a
[ 4%] Completed 'qfitlib'
[ 4%] Built target qfitlib
Scanning dependencies of target qfitlib_interface
[ 4%] Building Fortran object CMakeFiles/qfitlib_interface.dir/DALTON/qfitlib/qfitlib_interface.F90.o
[ 4%] Linking Fortran static library lib/libqfitlib_interface.a
[ 4%] Built target qfitlib_interface
Scanning dependencies of target pcmsolver
[ 4%] Creating directories for 'pcmsolver'
[ 4%] Performing download step (git clone) for 'pcmsolver'
Cloning into 'pcmsolver'...
Note: checking out 'v1.1.0'.
You are in 'detached HEAD' state. You can look around, make experimental
changes and commit them, and you can discard any commits you make in this
state without impacting any branches by performing another checkout.
If you want to create a new branch to retain commits you create, you may
do so (now or later) by using -b with the checkout command again. Example:
git checkout -b new_branch_name
HEAD is now at c6e7d3a... Update CHANGELOG.md
[ 4%] No patch step for 'pcmsolver'
[ 5%] Performing update step for 'pcmsolver'
[ 5%] Performing configure step for 'pcmsolver'
-- The C compiler identification is Intel 17.0.8.20180907
-- The CXX compiler identification is Intel 17.0.8.20180907
-- Check for working C compiler: /opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicc
-- Check for working C compiler: /opt/intel/compilers_and_libraries_2017.8.262/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/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicpc
-- Check for working CXX compiler: /opt/intel/compilers_and_libraries_2017.8.262/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
-- The Fortran compiler identification is Intel 17.0.8.20180907
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort
-- Check for working Fortran compiler: /opt/openmpi-2.1.6/bin/mpifort -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90
-- Checking whether /opt/openmpi-2.1.6/bin/mpifort supports Fortran 90 -- yes
-- Detecting Fortran/C Interface
-- Detecting Fortran/C Interface - Found GLOBAL and MODULE mangling
-- Verifying Fortran/CXX Compiler Compatibility
-- Verifying Fortran/CXX Compiler Compatibility - Failed
CMake Error at /home/igors/cmake372/share/cmake-3.7/Modules/FortranCInterface.cmake:382 (message):
The Fortran compiler:
/opt/openmpi-2.1.6/bin/mpifort
and the CXX compiler:
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicpc
failed to compile a simple test project using both languages. The output
was:
Change Dir: /public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX
Run Build Command:"/usr/bin/gmake"
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/home/igors/cmake372/bin/cmake -E cmake_link_script CMakeFiles/VerifyFortranC.dir/link.txt --verbose=1
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/bin/mpiicpc -O3 -DNDEBUG CMakeFiles/VerifyFortranC.dir/main.c.o CMakeFiles/VerifyFortranC.dir/VerifyC.c.o CMakeFiles/VerifyFortranC.dir/VerifyCXX.cxx.o -o VerifyFortranC -L/opt/openmpi-2.1.6/lib libVerifyFortran.a -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lifport -lifcoremt
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommGetAttr_fort'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_failure_get_acked'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_WEIGHTS_EMPTY'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `PMPI_Aint_add'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_NeedInit'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_TypeGetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_Err_create_code'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_UNWEIGHTED'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Keyval_set_proxy'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_IN_PLACE'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_F_ARGVS_NULL'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommSetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Errhandler_set_cxx'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_WinSetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_Err_return_comm'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_UNWEIGHTED'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_Grequest_set_lang_f77'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_revoke'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_TypeSetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_Aint_add'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `i_malloc'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_WinGetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_failure_ack'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_F_MPI_BOTTOM'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `i_realloc'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_WEIGHTS_EMPTY'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_shrink'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIX_Comm_agree'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `PMPI_Aint_diff'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPIR_CommGetAttr'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_Aint_diff'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpicxx.so: undefined reference to `MPIR_Op_set_cxx'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `MPI_F_ERRCODES_IGNORE'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `mpirinitf_'
/opt/intel/compilers_and_libraries_2017.8.262/linux/mpi/intel64/lib/libmpifort.so: undefined reference to `i_free'
gmake[5]: *** [VerifyFortranC] Error 1
gmake[5]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
gmake[4]: *** [CMakeFiles/VerifyFortranC.dir/all] Error 2
gmake[4]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
gmake[3]: *** [all] Error 2
gmake[3]: Leaving directory `/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/FortranCInterface/VerifyCXX'
Call Stack (most recent call first):
cmake/custom/compilers/Fortran_C.cmake:22 (FortranCInterface_VERIFY)
CMakeLists.txt:27 (include)
-- Configuring incomplete, errors occurred!
See also "/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/CMakeOutput.log".
See also "/public/dalton/build/external/pcmsolver/src/pcmsolver-build/CMakeFiles/CMakeError.log".
make[2]: *** [external/pcmsolver/src/pcmsolver-stamp/pcmsolver-configure] Error 1
make[1]: *** [DALTON/pcm/CMakeFiles/pcmsolver.dir/all] Error 2
make: *** [all] Error 2
By the way, is PCM actually available for cubic response in this release? I have read somewhere it is but then I noticed an issue here that it is still disabled...