Error in Compiling QCMaquis along with OpenMolcas
I was trying to compile OpenMolcas with QCMaquis using the following packages and commands.
export CC=icc
export FC=ifort
export CXX=icpc
cmake ../ -DGRID_IT=ON -DGA=ON -DMPI=ON -DHDF5=ON -DDMRG=ON -DNEVPT2=ON -DLINALG=MKL -D MPI_C_COMPILER=mpiicc -D MPI_Fortran_COMPILER=mpiifort -DPYTHON_EXECUTABLE=/apps/codes/anaconda3/3.8.0/bin/python3
The versions of various packages used are as follows,
GA version - 5.8
GSL version - 2.7
Boost version - 1.62.0
CMake version - 3.18
HDF5 version 1.10.5
Intel Parallel Studio version - 17.0.4 20170411
Anaconda version - 3.8.0
The MakeFile was generated successfully but when I run make
, I get the following compilation error,
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(71): error: qualified name is not allowed typedef std::map<std::string, std::string> map_t; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(71): error ` #303`: explicit type is missing ("int" assumed) typedef std::map<std::string, std::string> map_t; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(71): error: expected a ";" typedef std::map<std::string, std::string> map_t; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): error: a class or namespace qualified name is required typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): warning ` #324`: global-scope qualifier (leading "::") is not allowed typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): error: the global scope has no "value_type" typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): error: expected a ";" typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(82): error: identifier "value_type" is undefined std::list<value_type> get_range() const; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(148): error: identifier "map_t" is undefined map_t defaults; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice.h(32), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp(27): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(149): error: identifier "map_t" is undefined map_t descriptions; ^
compilation aborted for /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/models/lattice_factory.cpp (code 2) make[5]: *** [framework/dmrg/CMakeFiles/dmrg_models.dir/models/lattice_factory.cpp.o] Error 2 make[4]: *** [framework/dmrg/CMakeFiles/dmrg_models.dir/all] Error 2 make[4]: *** Waiting for unfinished jobs.... In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(71): error: qualified name is not allowed typedef std::map<std::string, std::string> map_t; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(71): error ` #303`: explicit type is missing ("int" assumed) typedef std::map<std::string, std::string> map_t; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(71): error: expected a ";" typedef std::map<std::string, std::string> map_t; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): error: a class or namespace qualified name is required typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): warning ` #324`: global-scope qualifier (leading "::") is not allowed typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): error: the global scope has no "value_type" typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(72): error: expected a ";" typedef typename map_t::value_type value_type; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(82): error: identifier "value_type" is undefined std::list<value_type> get_range() const; ^
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(148): error: identifier "map_t" is undefined map_t defaults; ^`
In file included from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgParameters.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.h(30), from /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp(28): /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/BaseParameters.h(149): error: identifier "map_t" is undefined map_t descriptions; ^
compilation aborted for /home/abhishek/storage/OpenMolcas_2023/OpenMolcas/build/External/qcmaquis/src/qcmaquis/dmrg/framework/dmrg/utils/DmrgOptions.cpp (code 2) make[5]: *** [framework/dmrg/CMakeFiles/dmrg_utils.dir/utils/DmrgOptions.cpp.o] Error 2 make[5]: *** Waiting for unfinished jobs.... make[4]: *** [framework/dmrg/CMakeFiles/dmrg_utils.dir/all] Error 2 Note: checking out '0a19bedb'.
Can anyone tell me how to resolve this issue?