# This is the CMakeCache file. # For build in directory: /home/yxj200002/_LAMMPS/lammps-23Jun2022_cmake/build_quip # It was generated by CMake: /opt/ohpc/pub/utils/cmake/3.16.2/bin/cmake # You can edit this file to change values found and used by cmake. # If you do not want to change any of the values, simply exit the editor. # If you do want to change a value, simply edit, save, and exit the editor. # The syntax for the file is as follows: # KEY:TYPE=VALUE # KEY is the name of a variable in the cache. # TYPE is a hint to GUIs for the type of VALUE, DO NOT EDIT TYPE!. # VALUE is the current value for the KEY. ######################## # EXTERNAL cache entries ######################## //Path to a library. BLAS_goto2_LIBRARY:FILEPATH=BLAS_goto2_LIBRARY-NOTFOUND //Path to a library. BLAS_mkl_LIBRARY:FILEPATH=BLAS_mkl_LIBRARY-NOTFOUND //Path to a library. BLAS_mkl_em64t_LIBRARY:FILEPATH=BLAS_mkl_em64t_LIBRARY-NOTFOUND //Path to a library. BLAS_mkl_ia32_LIBRARY:FILEPATH=BLAS_mkl_ia32_LIBRARY-NOTFOUND //Path to a library. BLAS_mkl_intel_LIBRARY:FILEPATH=BLAS_mkl_intel_LIBRARY-NOTFOUND //Path to a library. BLAS_mkl_intel_lp64_LIBRARY:FILEPATH=BLAS_mkl_intel_lp64_LIBRARY-NOTFOUND //Path to a library. BLAS_openblas_LIBRARY:FILEPATH=/opt/ohpc/pub/libs/gnu9/openblas/0.3.7/lib/libopenblas.so //Build LAMMPS HTML documentation BUILD_DOC:BOOL=OFF //Build and install the LAMMPS shell BUILD_LAMMPS_SHELL:BOOL=OFF //Build MPI version BUILD_MPI:STRING=yes //Build with OpenMP support BUILD_OMP:BOOL=ON //Build shared library BUILD_SHARED_LIBS:STRING=on //Build and install LAMMPS tools (msi2lmp, binary2txt, chain) BUILD_TOOLS:BOOL=OFF //Path to a program. CMAKE_ADDR2LINE:FILEPATH=/usr/bin/addr2line //Path to a program. CMAKE_AR:FILEPATH=/usr/bin/ar //Choose the type of build, options are: None Debug Release RelWithDebInfo // MinSizeRel. CMAKE_BUILD_TYPE:STRING=RelWithDebInfo //Enable/Disable color output during build. CMAKE_COLOR_MAKEFILE:BOOL=ON //CXX compiler CMAKE_CXX_COMPILER:FILEPATH=/opt/ohpc/pub/compiler/gcc/9.3.0/bin/c++ //A wrapper around 'ar' adding the appropriate '--plugin' option // for the GCC compiler CMAKE_CXX_COMPILER_AR:FILEPATH=/opt/ohpc/pub/compiler/gcc/9.3.0/bin/gcc-ar //A wrapper around 'ranlib' adding the appropriate '--plugin' option // for the GCC compiler CMAKE_CXX_COMPILER_RANLIB:FILEPATH=/opt/ohpc/pub/compiler/gcc/9.3.0/bin/gcc-ranlib //Use compiler extensions CMAKE_CXX_EXTENSIONS:BOOL=OFF //Flags used by the CXX compiler during all build types. CMAKE_CXX_FLAGS:STRING= //Flags used by the CXX compiler during DEBUG builds. CMAKE_CXX_FLAGS_DEBUG:STRING=-g //Flags used by the CXX compiler during MINSIZEREL builds. CMAKE_CXX_FLAGS_MINSIZEREL:STRING=-Os -DNDEBUG //Flags used by the CXX compiler during RELEASE builds. CMAKE_CXX_FLAGS_RELEASE:STRING=-O3 -DNDEBUG //Flags used by the CXX compiler during RELWITHDEBINFO builds. 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CMAKE_LINKER:FILEPATH=/usr/bin/ld //Path to a program. CMAKE_MAKE_PROGRAM:FILEPATH=/usr/bin/gmake //Flags used by the linker during the creation of modules during // all build types. CMAKE_MODULE_LINKER_FLAGS:STRING= //Flags used by the linker during the creation of modules during // DEBUG builds. CMAKE_MODULE_LINKER_FLAGS_DEBUG:STRING= //Flags used by the linker during the creation of modules during // MINSIZEREL builds. CMAKE_MODULE_LINKER_FLAGS_MINSIZEREL:STRING= //Flags used by the linker during the creation of modules during // RELEASE builds. CMAKE_MODULE_LINKER_FLAGS_RELEASE:STRING= //Flags used by the linker during the creation of modules during // RELWITHDEBINFO builds. CMAKE_MODULE_LINKER_FLAGS_RELWITHDEBINFO:STRING= //Path to a program. CMAKE_NM:FILEPATH=/usr/bin/nm //Path to a program. CMAKE_OBJCOPY:FILEPATH=/usr/bin/objcopy //Path to a program. CMAKE_OBJDUMP:FILEPATH=/usr/bin/objdump //Create object compatible with shared libraries CMAKE_POSITION_INDEPENDENT_CODE:BOOL=ON //Value Computed by CMake CMAKE_PROJECT_DESCRIPTION:STATIC= //Value Computed by CMake CMAKE_PROJECT_HOMEPAGE_URL:STATIC= //Value Computed by CMake CMAKE_PROJECT_NAME:STATIC=lammps //Path to a program. CMAKE_RANLIB:FILEPATH=/usr/bin/ranlib //Path to a program. CMAKE_READELF:FILEPATH=/usr/bin/readelf //Flags used by the linker during the creation of shared libraries // during all build types. CMAKE_SHARED_LINKER_FLAGS:STRING= //Flags used by the linker during the creation of shared libraries // during DEBUG builds. CMAKE_SHARED_LINKER_FLAGS_DEBUG:STRING= //Flags used by the linker during the creation of shared libraries // during MINSIZEREL builds. CMAKE_SHARED_LINKER_FLAGS_MINSIZEREL:STRING= //Flags used by the linker during the creation of shared libraries // during RELEASE builds. CMAKE_SHARED_LINKER_FLAGS_RELEASE:STRING= //Flags used by the linker during the creation of shared libraries // during RELWITHDEBINFO builds. CMAKE_SHARED_LINKER_FLAGS_RELWITHDEBINFO:STRING= //If set, runtime paths are not added when installing shared libraries, // but are added when building. CMAKE_SKIP_INSTALL_RPATH:BOOL=NO //If set, runtime paths are not added when using shared libraries. CMAKE_SKIP_RPATH:BOOL=NO //Flags used by the linker during the creation of static libraries // during all build types. CMAKE_STATIC_LINKER_FLAGS:STRING= //Flags used by the linker during the creation of static libraries // during DEBUG builds. CMAKE_STATIC_LINKER_FLAGS_DEBUG:STRING= //Flags used by the linker during the creation of static libraries // during MINSIZEREL builds. CMAKE_STATIC_LINKER_FLAGS_MINSIZEREL:STRING= //Flags used by the linker during the creation of static libraries // during RELEASE builds. CMAKE_STATIC_LINKER_FLAGS_RELEASE:STRING= //Flags used by the linker during the creation of static libraries // during RELWITHDEBINFO builds. CMAKE_STATIC_LINKER_FLAGS_RELWITHDEBINFO:STRING= //Path to a program. CMAKE_STRIP:FILEPATH=/usr/bin/strip //Compiler and machine specific optimization flags (compilation // only) CMAKE_TUNE_FLAGS:STRING= //Generate verbose Makefiles CMAKE_VERBOSE_MAKEFILE:BOOL=FALSE //clang-format executable ClangFormat_EXECUTABLE:FILEPATH=ClangFormat_EXECUTABLE-NOTFOUND //Download the QUIP library instead of using an already installed // one DOWNLOAD_QUIP:BOOL=OFF //Include clang-tidy processing when compiling ENABLE_CLANG_TIDY:BOOL=OFF //Enable collecting code coverage data ENABLE_COVERAGE:BOOL=OFF //Add 'iwyu' build target to call the include-what-you-use tool ENABLE_IWYU:BOOL=OFF //Select a code sanitizer option (none (default), address, leak, // thread, undefined) ENABLE_SANITIZER:STRING=none //Enable testing ENABLE_TESTING:BOOL=OFF //Path to a program. FFMPEG_EXECUTABLE:FILEPATH=FFMPEG_EXECUTABLE-NOTFOUND //FFT library for KSPACE package FFT:STRING=KISS //Path to a file. FFTW3_INCLUDE_DIR:PATH=FFTW3_INCLUDE_DIR-NOTFOUND //Path to a library. FFTW3_LIBRARY:FILEPATH=FFTW3_LIBRARY-NOTFOUND //Path to a library. FFTW3_OMP_LIBRARY:FILEPATH=FFTW3_OMP_LIBRARY-NOTFOUND //Optimization for FFT FFT_PACK:STRING=array //Use single precision FFTs instead of double precision FFTs FFT_SINGLE:BOOL=OFF //Git command line client GIT_EXECUTABLE:FILEPATH=/usr/bin/git //Path to a program. GZIP_EXECUTABLE:FILEPATH=/usr/bin/gzip //Path to a file. JPEG_INCLUDE_DIR:PATH=JPEG_INCLUDE_DIR-NOTFOUND //Path to a library. JPEG_LIBRARY_DEBUG:FILEPATH=JPEG_LIBRARY_DEBUG-NOTFOUND //Path to a library. JPEG_LIBRARY_RELEASE:FILEPATH=JPEG_LIBRARY_RELEASE-NOTFOUND //Base URL for LAMMPS downloads LAMMPS_DOWNLOADS_URL:STRING=https://download.lammps.org //enable the use of C++ exceptions for error messages (useful for // library interface) LAMMPS_EXCEPTIONS:STRING=on //Set runtime path for shared libraries linked to LAMMPS binaries LAMMPS_INSTALL_RPATH:BOOL=OFF //Workaround if your system or MPI version does not recognize 'long // long' data types LAMMPS_LONGLONG_TO_LONG:BOOL=OFF LAMMPS_MACHINE:STRING= //enables the use of the posix_memalign() call instead of malloc() // when large chunks or memory are allocated by LAMMPS. Set to // 0 to disable LAMMPS_MEMALIGN:STRING=64 //LAMMPS integer sizes (smallsmall: all 32-bit, smallbig: 64-bit // #atoms #timesteps, bigbig: also 64-bit imageint, 64-bit atom // ids) LAMMPS_SIZES:STRING=smallbig //Executable for running MPI programs. MPIEXEC_EXECUTABLE:FILEPATH=/opt/ohpc/pub/mpi/openmpi4-gnu9/4.0.4/bin/mpiexec //Maximum number of processors available to run MPI applications. MPIEXEC_MAX_NUMPROCS:STRING=16 //Flag used by MPI to specify the number of processes for mpiexec; // the next option will be the number of processes. MPIEXEC_NUMPROC_FLAG:STRING=-n //These flags will be placed after all flags passed to mpiexec. MPIEXEC_POSTFLAGS:STRING= //These flags will be directly before the executable that is being // run by mpiexec. MPIEXEC_PREFLAGS:STRING= //MPI CXX additional include directories MPI_CXX_ADDITIONAL_INCLUDE_DIRS:STRING= //MPI compiler for CXX MPI_CXX_COMPILER:FILEPATH=/opt/ohpc/pub/mpi/openmpi4-gnu9/4.0.4/bin/mpicxx //MPI CXX compilation definitions MPI_CXX_COMPILE_DEFINITIONS:STRING=MPICH_SKIP_MPICXX;OMPI_SKIP_MPICXX;_MPICC_H //MPI CXX compilation options MPI_CXX_COMPILE_OPTIONS:STRING=-pthread //Path to a file. MPI_CXX_HEADER_DIR:PATH=/opt/ohpc/pub/mpi/openmpi4-gnu9/4.0.4/include //MPI CXX libraries to link against MPI_CXX_LIB_NAMES:STRING=mpi_cxx;mpi //MPI CXX linker flags MPI_CXX_LINK_FLAGS:STRING=-Wl,-rpath -Wl,/opt/ohpc/pub/mpi/openmpi4-gnu9/4.0.4/lib -Wl,--enable-new-dtags -pthread //If true, the MPI-2 C++ bindings are disabled using definitions. MPI_CXX_SKIP_MPICXX:BOOL=FALSE //Location of the mpi library for MPI MPI_mpi_LIBRARY:FILEPATH=/opt/ohpc/pub/mpi/openmpi4-gnu9/4.0.4/lib/libmpi.so //Location of the mpi_cxx library for MPI MPI_mpi_cxx_LIBRARY:FILEPATH=/opt/ohpc/pub/mpi/openmpi4-gnu9/4.0.4/lib/libmpi_cxx.so //CXX compiler flags for OpenMP parallelization OpenMP_CXX_FLAGS:STRING=-fopenmp //CXX compiler libraries for OpenMP parallelization OpenMP_CXX_LIB_NAMES:STRING=gomp;pthread //Path to the gomp library for OpenMP OpenMP_gomp_LIBRARY:FILEPATH=/opt/ohpc/pub/compiler/gcc/9.3.0/lib64/libgomp.so //Path to the pthread library for OpenMP OpenMP_pthread_LIBRARY:FILEPATH=/lib64/libpthread.so //Build ADIOS Package PKG_ADIOS:BOOL=OFF //Build ASPHERE Package PKG_ASPHERE:BOOL=OFF //Build ATC Package PKG_ATC:BOOL=OFF //Build AWPMD Package PKG_AWPMD:BOOL=OFF //Build BOCS Package PKG_BOCS:BOOL=OFF //Build BODY Package PKG_BODY:BOOL=OFF //Build BPM Package PKG_BPM:BOOL=OFF //Build BROWNIAN Package PKG_BROWNIAN:BOOL=OFF //Build CG-DNA Package PKG_CG-DNA:BOOL=OFF //Build CG-SDK Package PKG_CG-SDK:BOOL=OFF //Build CLASS2 Package PKG_CLASS2:BOOL=OFF //Build COLLOID Package PKG_COLLOID:BOOL=OFF //Build COLVARS Package PKG_COLVARS:BOOL=OFF //Build COMPRESS Package PKG_COMPRESS:BOOL=OFF //pkg-config executable PKG_CONFIG_EXECUTABLE:FILEPATH=/usr/bin/pkg-config //Build CORESHELL Package PKG_CORESHELL:BOOL=OFF //Build DIELECTRIC Package PKG_DIELECTRIC:BOOL=OFF //Build DIFFRACTION Package PKG_DIFFRACTION:BOOL=OFF //Build DIPOLE Package PKG_DIPOLE:BOOL=OFF //Build DPD-BASIC Package PKG_DPD-BASIC:BOOL=OFF //Build DPD-MESO Package PKG_DPD-MESO:BOOL=OFF //Build DPD-REACT Package PKG_DPD-REACT:BOOL=OFF //Build DPD-SMOOTH Package PKG_DPD-SMOOTH:BOOL=OFF //Build DRUDE Package PKG_DRUDE:BOOL=OFF //Build EFF Package PKG_EFF:BOOL=OFF //Build ELECTRODE Package PKG_ELECTRODE:BOOL=OFF //Build EXTRA-COMPUTE Package PKG_EXTRA-COMPUTE:BOOL=OFF //Build EXTRA-DUMP Package PKG_EXTRA-DUMP:BOOL=OFF //Build EXTRA-FIX Package PKG_EXTRA-FIX:BOOL=OFF //Build EXTRA-MOLECULE Package PKG_EXTRA-MOLECULE:BOOL=OFF //Build EXTRA-PAIR Package PKG_EXTRA-PAIR:BOOL=OFF //Build FEP Package PKG_FEP:BOOL=OFF //Build GPU Package PKG_GPU:BOOL=OFF //Build GRANULAR Package PKG_GRANULAR:BOOL=OFF //Build H5MD Package PKG_H5MD:BOOL=OFF //Build INTEL Package PKG_INTEL:BOOL=OFF //Build INTERLAYER Package PKG_INTERLAYER:BOOL=OFF //Build KIM Package PKG_KIM:BOOL=OFF //Build KOKKOS Package PKG_KOKKOS:BOOL=OFF //Build KSPACE Package PKG_KSPACE:BOOL=ON //Build LATBOLTZ Package PKG_LATBOLTZ:BOOL=OFF //Build LATTE Package PKG_LATTE:BOOL=OFF //Build MACHDYN Package PKG_MACHDYN:BOOL=OFF //Build MANIFOLD Package PKG_MANIFOLD:BOOL=OFF //Build MANYBODY Package PKG_MANYBODY:BOOL=ON //Build MC Package PKG_MC:BOOL=OFF //Build MDI Package PKG_MDI:BOOL=OFF //Build MEAM Package PKG_MEAM:BOOL=OFF //Build MESONT Package PKG_MESONT:BOOL=OFF //Build MGPT Package PKG_MGPT:BOOL=OFF //Build MISC Package PKG_MISC:BOOL=OFF //Build ML-HDNNP Package PKG_ML-HDNNP:BOOL=OFF //Build ML-IAP Package PKG_ML-IAP:BOOL=OFF //Build ML-PACE Package PKG_ML-PACE:BOOL=OFF //Build ML-QUIP Package PKG_ML-QUIP:BOOL=ON //Build ML-RANN Package PKG_ML-RANN:BOOL=OFF //Build ML-SNAP Package PKG_ML-SNAP:BOOL=OFF //Build MOFFF Package PKG_MOFFF:BOOL=OFF //Build MOLECULE Package PKG_MOLECULE:BOOL=OFF //Build MOLFILE Package PKG_MOLFILE:BOOL=OFF //Build MPIIO Package PKG_MPIIO:BOOL=OFF //Build MSCG Package PKG_MSCG:BOOL=OFF //Build NETCDF Package PKG_NETCDF:BOOL=OFF //Build OPENMP Package PKG_OPENMP:BOOL=OFF //Build OPT Package PKG_OPT:BOOL=OFF //Build ORIENT Package PKG_ORIENT:BOOL=OFF //Build PERI Package PKG_PERI:BOOL=OFF //Build PHONON Package PKG_PHONON:BOOL=OFF //Build PLUGIN Package PKG_PLUGIN:BOOL=OFF //Build PLUMED Package PKG_PLUMED:BOOL=OFF //Build POEMS Package PKG_POEMS:BOOL=OFF //Build PTM Package PKG_PTM:BOOL=OFF //Build PYTHON Package PKG_PYTHON:BOOL=OFF //Build QEQ Package PKG_QEQ:BOOL=OFF //Build QMMM Package PKG_QMMM:BOOL=OFF //Build QTB Package PKG_QTB:BOOL=OFF //Build REACTION Package PKG_REACTION:BOOL=OFF //Build REAXFF Package PKG_REAXFF:BOOL=OFF //Build REPLICA Package PKG_REPLICA:BOOL=OFF //Build RIGID Package PKG_RIGID:BOOL=OFF //Build SCAFACOS Package PKG_SCAFACOS:BOOL=OFF //Build SHOCK Package PKG_SHOCK:BOOL=OFF //Build SMTBQ Package PKG_SMTBQ:BOOL=OFF //Build SPH Package PKG_SPH:BOOL=OFF //Build SPIN Package PKG_SPIN:BOOL=OFF //Build SRD Package PKG_SRD:BOOL=OFF //Build TALLY Package PKG_TALLY:BOOL=OFF //Build UEF Package PKG_UEF:BOOL=OFF //Build VORONOI Package PKG_VORONOI:BOOL=OFF //Build VTK Package PKG_VTK:BOOL=OFF //Build YAFF Package PKG_YAFF:BOOL=OFF //Path to a library. PNG_LIBRARY_DEBUG:FILEPATH=PNG_LIBRARY_DEBUG-NOTFOUND //Path to a library. PNG_LIBRARY_RELEASE:FILEPATH=/usr/lib64/libpng.so //Path to a file. PNG_PNG_INCLUDE_DIR:PATH=/usr/include QUIP_LIBRARY:STRING=/home/yxj200002/_QUIP/0.9.12/build/linux_x86_64_gfortran_openmpi/libquip.a //Standard Math library STANDARD_MATH_LIB:FILEPATH=/usr/lib64/libm.so //Enable FFMPEG support WITH_FFMPEG:BOOL=OFF //Enable GZIP support WITH_GZIP:BOOL=ON //Enable JPEG support WITH_JPEG:BOOL=OFF //Enable PNG support WITH_PNG:BOOL=ON //Build scripting language wrappers with SWIG WITH_SWIG:BOOL=OFF //Path to a file. ZLIB_INCLUDE_DIR:PATH=/usr/include //Path to a library. ZLIB_LIBRARY_DEBUG:FILEPATH=ZLIB_LIBRARY_DEBUG-NOTFOUND //Path to a library. ZLIB_LIBRARY_RELEASE:FILEPATH=/usr/lib64/libz.so //Path to a program. _Python3_EXECUTABLE:FILEPATH=/usr/bin/python3.6 //Value Computed by CMake lammps_BINARY_DIR:STATIC=/home/yxj200002/_LAMMPS/lammps-23Jun2022_cmake/build_quip //Dependencies for the target lammps_LIB_DEPENDS:STATIC=general;PNG::PNG;general;ZLIB::ZLIB;general;QUIP::QUIP;general;/opt/ohpc/pub/libs/gnu9/openblas/0.3.7/lib/libopenblas.so;general;/opt/ohpc/pub/libs/gnu9/openblas/0.3.7/lib/libopenblas.so;general;/usr/lib64/libm.so;general;dl;general;gfortran;general;m;general;gcc_s;general;gcc;general;quadmath;general;m;general;gcc_s;general;gcc;general;c;general;gcc_s;general;gcc; //Value Computed by CMake lammps_SOURCE_DIR:STATIC=/home/yxj200002/_LAMMPS/lammps-23Jun2022_cmake/cmake ######################## # INTERNAL cache entries ######################## //Have function sgemm_ BLAS_WORKS:INTERNAL= //ADVANCED property for variable: BLAS_goto2_LIBRARY BLAS_goto2_LIBRARY-ADVANCED:INTERNAL=1 //ADVANCED property for variable: BLAS_mkl_LIBRARY BLAS_mkl_LIBRARY-ADVANCED:INTERNAL=1 //ADVANCED property for variable: BLAS_mkl_em64t_LIBRARY BLAS_mkl_em64t_LIBRARY-ADVANCED:INTERNAL=1 //ADVANCED property for variable: BLAS_mkl_ia32_LIBRARY BLAS_mkl_ia32_LIBRARY-ADVANCED:INTERNAL=1 //ADVANCED property for variable: BLAS_mkl_intel_LIBRARY BLAS_mkl_intel_LIBRARY-ADVANCED:INTERNAL=1 //ADVANCED property for variable: BLAS_mkl_intel_lp64_LIBRARY BLAS_mkl_intel_lp64_LIBRARY-ADVANCED:INTERNAL=1 //ADVANCED property for variable: BLAS_openblas_LIBRARY BLAS_openblas_LIBRARY-ADVANCED:INTERNAL=1 //Have function sgemm_ BLAS_openblas_WORKS:INTERNAL=1 //ADVANCED property for variable: CMAKE_ADDR2LINE CMAKE_ADDR2LINE-ADVANCED:INTERNAL=1 //ADVANCED property for variable: CMAKE_AR CMAKE_AR-ADVANCED:INTERNAL=1 //This is the directory where this CMakeCache.txt was created CMAKE_CACHEFILE_DIR:INTERNAL=/home/yxj200002/_LAMMPS/lammps-23Jun2022_cmake/build_quip //Major version of cmake used to create the current loaded cache CMAKE_CACHE_MAJOR_VERSION:INTERNAL=3 //Minor version of cmake used to create the current loaded cache CMAKE_CACHE_MINOR_VERSION:INTERNAL=16 //Patch version of cmake used to create the current loaded cache CMAKE_CACHE_PATCH_VERSION:INTERNAL=2 //ADVANCED property for variable: CMAKE_COLOR_MAKEFILE CMAKE_COLOR_MAKEFILE-ADVANCED:INTERNAL=1 //Path to CMake executable. 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