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status of g12dkh integrals

Open loriab opened this issue 3 years ago • 0 comments

I don't need the g12dkh integrals. I was only checking the build and found the below. Possibly something wrong on my end, so posting this to check if they've been in use lately. The file is indeed missing, so it's not purely a paths error.

[43/47] Performing build step for 'library'
[21/293] Building CXX object CMakeFiles/int-obj.dir/Unity/unity_225_cxx.cxx.o
FAILED: CMakeFiles/int-obj.dir/Unity/unity_225_cxx.cxx.o 
/psi/toolchainconda/envs/basenol2/bin/x86_64-conda-linux-gnu-c++ -D__COMPILING_LIBINT2=1 -I/psi/gits/libint2-efv/build-29/src/lib/libint/library-prefix/src/library-build/include -I/psi/gits/libint2-efv/build-29/src/lib/libint/library-prefix/src/library/src -I/psi/gits/libint2-efv/build-29/src/lib/libint/library-prefix/src/library/include -I/psi/gits/libint2-efv/build-29/src/lib/libint/library-prefix/src/library/include/libint2 -fvisibility-inlines-hidden -std=c++17 -fmessage-length=0 -march=nocona -mtune=haswell -ftree-vectorize -fPIC -fstack-protector-strong -fno-plt -O2 -ffunction-sections -pipe -isystem /psi/toolchainconda/envs/basenol2/include -O3 -DNDEBUG -fPIC -MD -MT CMakeFiles/int-obj.dir/Unity/unity_225_cxx.cxx.o -MF CMakeFiles/int-obj.dir/Unity/unity_225_cxx.cxx.o.d -o CMakeFiles/int-obj.dir/Unity/unity_225_cxx.cxx.o -c /psi/gits/libint2-efv/build-29/src/lib/libint/library-prefix/src/library-build/CMakeFiles/int-obj.dir/Unity/unity_225_cxx.cxx
In file included from /psi/gits/libint2-efv/build-29/src/lib/libint/library-prefix/src/library-build/CMakeFiles/int-obj.dir/Unity/unity_225_cxx.cxx:3:
/psi/gits/libint2-efv/build-29/src/lib/libint/library-prefix/src/library/src/__SS_r_12_up___0_c_2_c_4___times_exp___minus_g_times_r_12_up_2___FF__.cc:28:10: fatal error: __SS_r_12_up___0_c_2_c_4___times_exp___minus_g_times_r_12_up_2___FF___prereq.h: No such file or directory
   28 | #include <__SS_r_12_up___0_c_2_c_4___times_exp___minus_g_times_r_12_up_2___FF___prereq.h>
      |          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
compilation terminated.
cmake -S. -Bbuild-29 \
    -G Ninja \
    -D LIBINT_BUILD_LIBRARY_AS_SUBPROJECT=OFF \
    -D CMAKE_INSTALL_PREFIX=/psi/gits/libint2-efv/install-29 \
    -D REQUIRE_CXX_API=ON \
    -D BUILD_TESTING=ON \
    -DLIBINT2_BUILD_SHARED_AND_STATIC_LIBS=ON \
    -D CMAKE_PREFIX_PATH="/psi/toolchainconda/envs/singleboost;/psi/toolchainconda/envs/singlegmp;/psi/toolchainconda/envs/singleeigen" \
    -D ENABLE_MPFR=OFF \
    -D CMAKE_CXX_COMPILER=$CXX \
    -D CMAKE_C_COMPILER=$CC \
    -D ENABLE_FORTRAN=ON \
    -D LIBINT2_SHGAUSS_ORDERING=standard \
    -D ERI3_PURE_SH=OFF \
    -D ERI2_PURE_SH=OFF \
    -D WITH_MAX_AM="3;2" \
    -D WITH_ERI_MAX_AM="2;2" \
    -D WITH_ERI3_MAX_AM="3;2" \
    -D ENABLE_ERI=1 \
    -D ENABLE_ERI3=1 \
    -D ENABLE_ONEBODY=1 \
    -D DISABLE_ONEBODY_PROPERTY_DERIVS=ON \
    -D ENABLE_G12=1 \
    -D ENABLE_G12DKH=0 \
    -D MULTIPOLE_MAX_ORDER=2

loriab avatar Feb 17 '22 04:02 loriab