Hi,
I have tried to compile psi4 with pcmsolver on our linux cluster with intel compilers and mkl, and got the following errors:
loading initial cache file /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/tmp/pcmsolver_external-cache-release.cmake
CMake Error at /usr/share/cmake3/Modules/FortranCInterface.cmake:383 (message):
The Fortran compiler:
/opt/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64/ifort
and the CXX compiler:
/opt/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64/icpc
failed to compile a simple test project using both languages. The output
was:
Change Dir: /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX
Run Build Command(s):/opt/rh/devtoolset-6/root/usr/bin/gmake VerifyFortranC
gmake[3]: Entering directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
/usr/bin/cmake3 -S/usr/share/cmake3/Modules/FortranCInterface/Verify -B/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX --check-build-system CMakeFiles/Makefile.cmake 0
/opt/rh/devtoolset-6/root/usr/bin/gmake -f CMakeFiles/Makefile2 VerifyFortranC
gmake[4]: Entering directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
/usr/bin/cmake3 -S/usr/share/cmake3/Modules/FortranCInterface/Verify -B/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake3 -E cmake_progress_start /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX/CMakeFiles 6
/opt/rh/devtoolset-6/root/usr/bin/gmake -f CMakeFiles/Makefile2 CMakeFiles/VerifyFortranC.dir/all
gmake[5]: Entering directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
/opt/rh/devtoolset-6/root/usr/bin/gmake -f CMakeFiles/VerifyFortran.dir/build.make CMakeFiles/VerifyFortran.dir/depend
gmake[6]: Entering directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
cd /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX && /usr/bin/cmake3 -E cmake_depends "Unix Makefiles" /usr/share/cmake3/Modules/FortranCInterface/Verify /usr/share/cmake3/Modules/FortranCInterface/Verify /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX/CMakeFiles/VerifyFortran.dir/DependInfo.cmake
Scanning dependencies of target VerifyFortran
gmake[6]: Leaving directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
/opt/rh/devtoolset-6/root/usr/bin/gmake -f CMakeFiles/VerifyFortran.dir/build.make CMakeFiles/VerifyFortran.dir/build
gmake[6]: Entering directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
[ 16%] Building Fortran object CMakeFiles/VerifyFortran.dir/VerifyFortran.f.o
/opt/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64/ifort -DVERIFY_CXX -I/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX -xHost -O3 -c /usr/share/cmake3/Modules/FortranCInterface/Verify/VerifyFortran.f -o CMakeFiles/VerifyFortran.dir/VerifyFortran.f.o
[ 33%] Linking Fortran static library libVerifyFortran.a
/usr/bin/cmake3 -P CMakeFiles/VerifyFortran.dir/cmake_clean_target.cmake
/usr/bin/cmake3 -E cmake_link_script CMakeFiles/VerifyFortran.dir/link.txt --verbose=1
/opt/rh/devtoolset-6/root/usr/bin/ar qc libVerifyFortran.a CMakeFiles/VerifyFortran.dir/VerifyFortran.f.o
/opt/rh/devtoolset-6/root/usr/bin/ranlib libVerifyFortran.a
gmake[6]: Leaving directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
[ 33%] Built target VerifyFortran
/opt/rh/devtoolset-6/root/usr/bin/gmake -f CMakeFiles/VerifyFortranC.dir/build.make CMakeFiles/VerifyFortranC.dir/depend
gmake[6]: Entering directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
cd /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX && /usr/bin/cmake3 -E cmake_depends "Unix Makefiles" /usr/share/cmake3/Modules/FortranCInterface/Verify /usr/share/cmake3/Modules/FortranCInterface/Verify /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX /home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX/CMakeFiles/VerifyFortranC.dir/DependInfo.cmake
Scanning dependencies of target VerifyFortranC
gmake[6]: Leaving directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
/opt/rh/devtoolset-6/root/usr/bin/gmake -f CMakeFiles/VerifyFortranC.dir/build.make CMakeFiles/VerifyFortranC.dir/build
gmake[6]: Entering directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
[ 50%] Building C object CMakeFiles/VerifyFortranC.dir/main.c.o
/opt/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64/icc -DVERIFY_CXX -I/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX -xHost -O3 -DNDEBUG -o CMakeFiles/VerifyFortranC.dir/main.c.o -c /usr/share/cmake3/Modules/FortranCInterface/Verify/main.c
[ 66%] Building C object CMakeFiles/VerifyFortranC.dir/VerifyC.c.o
/opt/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64/icc -DVERIFY_CXX -I/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX -xHost -O3 -DNDEBUG -o CMakeFiles/VerifyFortranC.dir/VerifyC.c.o -c /usr/share/cmake3/Modules/FortranCInterface/Verify/VerifyC.c
[ 83%] Building CXX object CMakeFiles/VerifyFortranC.dir/VerifyCXX.cxx.o
/opt/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64/icpc -DVERIFY_CXX -I/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX -xHost -O3 -DNDEBUG -o CMakeFiles/VerifyFortranC.dir/VerifyCXX.cxx.o -c /usr/share/cmake3/Modules/FortranCInterface/Verify/VerifyCXX.cxx
[100%] Linking CXX executable VerifyFortranC
/usr/bin/cmake3 -E cmake_link_script CMakeFiles/VerifyFortranC.dir/link.txt --verbose=1
/opt/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64/icpc -xHost -O3 -DNDEBUG CMakeFiles/VerifyFortranC.dir/main.c.o CMakeFiles/VerifyFortranC.dir/VerifyC.c.o CMakeFiles/VerifyFortranC.dir/VerifyCXX.cxx.o -o VerifyFortranC libVerifyFortran.a -lifport -lifcoremt -lpthread
ld: warning: libimf.so, needed by /opt/intel/compilers_and_libraries_2017.1.132/linux/compiler/lib/intel64_lin/libifport.so.5, not found (try using -rpath or -rpath-link)
ld: warning: libintlc.so.5, needed by /opt/intel/compilers_and_libraries_2017.1.132/linux/compiler/lib/intel64_lin/libifport.so.5, not found (try using -rpath or -rpath-link)
ld: warning: libsvml.so, needed by /opt/intel/compilers_and_libraries_2017.1.132/linux/compiler/lib/intel64_lin/libifcoremt.so.5, not found (try using -rpath or -rpath-link)
CMakeFiles/VerifyFortranC.dir/main.c.o: In function `main':
main.c:(.text+0x3a): undefined reference to `VerifyFortran'
CMakeFiles/VerifyFortranC.dir/build.make:117: recipe for target 'VerifyFortranC' failed
gmake[6]: *** [VerifyFortranC] Error 1
gmake[6]: Leaving directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
CMakeFiles/Makefile2:75: recipe for target 'CMakeFiles/VerifyFortranC.dir/all' failed
gmake[5]: *** [CMakeFiles/VerifyFortranC.dir/all] Error 2
gmake[5]: Leaving directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
CMakeFiles/Makefile2:87: recipe for target 'CMakeFiles/VerifyFortranC.dir/rule' failed
gmake[4]: *** [CMakeFiles/VerifyFortranC.dir/rule] Error 2
gmake[4]: Leaving directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
Makefile:121: recipe for target 'VerifyFortranC' failed
gmake[3]: *** [VerifyFortranC] Error 2
gmake[3]: Leaving directory '/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/FortranCInterface/VerifyCXX'
Call Stack (most recent call first):
cmake/custom/compilers/Fortran_C.cmake:19 (FortranCInterface_VERIFY)
CMakeLists.txt:61 (include)
– Configuring incomplete, errors occurred!
See also “/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/CMakeOutput.log”.
See also “/home/ubgroup/psi4compile/psi4/objdir/external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-build/CMakeFiles/CMakeError.log”.
external/upstream/pcmsolver/CMakeFiles/pcmsolver_external.dir/build.make:109: recipe for target ‘external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-stamp/pcmsolver_external-configure’ failed
make[2]: *** [external/upstream/pcmsolver/pcmsolver_external-prefix/src/pcmsolver_external-stamp/pcmsolver_external-configure] Error 1
CMakeFiles/Makefile2:1473: recipe for target ‘external/upstream/pcmsolver/CMakeFiles/pcmsolver_external.dir/all’ failed
make[1]: *** [external/upstream/pcmsolver/CMakeFiles/pcmsolver_external.dir/all] Error 2
Makefile:140: recipe for target ‘all’ failed
make: *** [all] Error 2
Any idea? what is going wrong?