[CP2K-user] CP2K Installation (libint) error
may...@gmail.com
mayan... at gmail.com
Thu Aug 6 15:01:38 UTC 2020
Hi,
I think this might have been discussed before, but I am have a libint error
while installing cp2k via toolchain. All the components (except SIRIUS and
cosma) have been installed via toolchain.The toolchain installed libint-2.6
successfully and for the installation script I edited the ./configure
options to:
./configure --prefix=${pkg_install_dir} \
--with-cxx="$CXX $LIBINT_CXXFLAGS" \
--with-cxx-optflags="$LIBINT_CXXFLAGS" \
--enable-fortran *--enable-eri=1*\
--libdir="${pkg_install_dir}/lib" \
After installing dependencies, I ran the generated arch file, where it
stopped at the error:
../cp2k_v8/cp2k_v8/lib/local/psmp/libcp2kmain.a(libint_wrapper.o): In
function `__libint_wrapper_MOD_cp_libint_get_derivs':
../cp2k_v8/cp2k_v8/src/libint_wrapper.F:448: undefined reference to
`libint2_build_eri1'
../cp2k_v8/cp2k_v8/lib/local/psmp/libcp2kmain.a(libint_wrapper.o): In
function `__libint_wrapper_MOD_cp_libint_cleanup_eri1':
../cp2k_v8/cp2k_v8/src/libint_wrapper.F:565: undefined reference to
`libint2_cleanup_eri1'
../cp2k_v8/cp2k_v8/lib/local/psmp/libcp2kmain.a(libint_wrapper.o): In
function `__libint_wrapper_MOD_cp_libint_init_eri1':
../cp2k_v8/cp2k_v8/src/libint_wrapper.F:520: undefined reference to
`libint2_init_eri1'
Can someone help me resolve this issue?
Best Regards,
Mayank Dodia
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200806/2e189c66/attachment.htm>
More information about the CP2K-user
mailing list