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compiling environment:
Intel MPI 2020.1.217
GCC 11.2.0
CUDA 11.6
TENSORFLOW 2.9.0
DeePMD-kit 2.2.2
Lammps 20220623
However, after make intel_cpu_intelmpi in src, I finally ran into the issue as the error log shown here:
fix_nph.cpp:(.text+0x2a7): undefined reference to
LAMMPS_NS::Modify::add_compute(std::string const&, int)' ./liblammps_intel_cpu_intelmpi.a(fix_nph.o): In function
LAMMPS_NS::FixNPH::FixNPH(LAMMPS_NS::LAMMPS*, int, char**)':fix_nph.cpp:(.text+0x874): undefined reference to
LAMMPS_NS::Modify::add_compute(std::string const&, int)' fix_nph.cpp:(.text+0x997): undefined reference to
LAMMPS_NS::Modify::add_compute(std::string const&, int)'./liblammps_intel_cpu_intelmpi.a(fix_flow_gauss.o): In function
LAMMPS_NS::FixFlowGauss::FixFlowGauss(LAMMPS_NS::LAMMPS*, int, char**)': fix_flow_gauss.cpp:(.text+0x118): undefined reference to
LAMMPS_NS::CiteMe::add(std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&)'fix_flow_gauss.cpp:(.text+0x31f): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits<char>, std::alloc ator<char> > const&, int, fmt::v8_lmp::basic_string_view<char>, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0x441): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&, int, fmt::v8_lmp::basic_string_view, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0x508): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits<char>, std::alloc ator<char> > const&, int, fmt::v8_lmp::basic_string_view<char>, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0x619): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&, int, fmt::v8_lmp::basic_string_view, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0x77a): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits<char>, std::alloc ator<char> > const&, int, fmt::v8_lmp::basic_string_view<char>, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'./liblammps_intel_cpu_intelmpi.a(fix_flow_gauss.o): In function
LAMMPS_NS::FixFlowGauss::FixFlowGauss(LAMMPS_NS::LAMMPS*, int, char**)':fix_flow_gauss.cpp:(.text+0x918): undefined reference to
LAMMPS_NS::CiteMe::add(std::__cxx11::basic_string<char, std::char_traits<char>, std::alloc ator<char> > const&)'fix_flow_gauss.cpp:(.text+0xb1f): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&, int, fmt::v8_lmp::basic_string_view, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0xc41): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits<char>, std::alloc ator<char> > const&, int, fmt::v8_lmp::basic_string_view<char>, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0xd08): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&, int, fmt::v8_lmp::basic_string_view, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0xe19): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits<char>, std::alloc ator<char> > const&, int, fmt::v8_lmp::basic_string_view<char>, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'fix_flow_gauss.cpp:(.text+0xf7a): undefined reference to
LAMMPS_NS::Error::_all(std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&, int, fmt::v8_lmp::basic_string_view, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)'./liblammps_intel_cpu_intelmpi.a(fix_flow_gauss.o):fix_flow_gauss.cpp:(.text+0x10e4): more undefined references to
LAMMPS_NS::Error::_all(std::__cx x11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, int, fmt::v8_lmp::basic_string_view<char>, fmt::v8_lmp::basic_format_args<fmt::v8_lmp::basic_format_context<fmt::v8_lmp::appender, char> >)' follow./liblammps_intel_cpu_intelmpi.a(fix_flow_gauss.o): In function
LAMMPS_NS::FixFlowGauss::setup(int)':fix_flow_gauss.cpp:(.text+0x11c7): undefined reference to `LAMMPS_NS::utils::strmatch(std::__cxx11::basic_string<char, std::char_traits, std::
allocator > const&, std::__cxx11::basic_string<char, std::char_traits, std::allocator > const&)'
......
This is my command to compile libdeepmd with cmake:
cmake -DCMAKE_C_COMPILER=/public/home/tm_lkx/.conda/envs/codeepmd/app/gcc/bin/gcc -DCMAKE_CXX_COMPILER=/public/home/tm_lkx/.conda/envs/codeepmd/app/gcc/bin/g++ -DUSE_CUDA_TOOLKIT=true -DTENSORFLOW_ROOT=$tensorflow_root -DCMAKE_INSTALL_PREFIX=$deepmd_root ..
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