compiler is gnu.

I erased all charmm folder using rm -r charmm, redownload charmm install file and moved my cluster.
I ran ./cofigure on the created charmm folder but still got a similar error.

[sohyeon@theochem11 charmm]$ ./configure
=====
swapping directories temporarily
~/charmm/build/cmake ~/charmm
=====
WARNING build directory not empty
moving to /export/home/sohyeon/charmm/build/cmake
press ctrl+c to abort
=====
configuration using cmake continues using
env /usr/local/bin/cmake -DCMAKE_INSTALL_PREFIX=/export/home/sohyeon/charmm -Din_place_install=ON /export/home/sohyeon/charmm

after configuration run make in
/export/home/sohyeon/charmm/build/cmake
to compile and link the charmm executable
=====
-- The C compiler identification is GNU 4.4.6
-- The CXX compiler identification is GNU 4.4.6
-- The Fortran compiler identification is GNU
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working Fortran compiler: /usr/bin/gfortran
-- Check for working Fortran compiler: /usr/bin/gfortran -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /usr/bin/gfortran supports Fortran 90
-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes
-- Could NOT find MKL (missing: MKL_INCLUDE_DIR)
-- Found FFTW: /usr/local/include
-- Found FFTWF: /usr/local/lib/libfftw3f.a
-- Found MPI_C: /opt/openmpi/lib/libmpi.so;/usr/lib64/libibverbs.so;/usr/lib64/libdat.so;/usr/lib64/librt.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so;/usr/lib64/libm.so;/usr/lib64/librt.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so
-- Found MPI_CXX: /opt/openmpi/lib/libmpi_cxx.so;/opt/openmpi/lib/libmpi.so;/usr/lib64/libibverbs.so;/usr/lib64/libdat.so;/usr/lib64/librt.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so;/usr/lib64/libm.so;/usr/lib64/librt.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so
-- Found MPI_Fortran: /opt/openmpi/lib/libmpi_f90.so;/opt/openmpi/lib/libmpi_f77.so;/opt/openmpi/lib/libmpi.so;/usr/lib64/libibverbs.so;/usr/lib64/libdat.so;/usr/lib64/librt.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so;/usr/lib64/libm.so;/usr/lib64/librt.so;/usr/lib64/libnsl.so;/usr/lib64/libutil.so;/usr/lib64/libm.so;/usr/lib64/libdl.so
-- Try OpenMP C flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Try OpenMP CXX flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
-- Found OpenMP: -fopenmp
-- Try OpenMP Fortran flag = [-fopenmp]
-- Performing Test OpenMP_FLAG_DETECTED
-- Performing Test OpenMP_FLAG_DETECTED - Success
CMake Error at tool/cmake/FindOpenMP_Fortran.cmake:128 (try_compile):
COPY_FILE specified on a srcdir type TRY_COMPILE
Call Stack (most recent call first):
tool/cmake/FindOpenMP_Fortran.cmake:176 (_OPENMP_GET_SPEC_DATE)
CMakeLists.txt:268 (find_package)


-- Found OpenMP_Fortran: -fopenmp
-- Could NOT find OPENMM (missing: OPENMM_INCLUDE_DIRS OPENMM_LIBRARIES)
-- Could NOT find OPENMM_CPU (missing: OPENMM_CPU_PLUGIN)
-- Could NOT find OPENMM_CUDA (missing: OPENMM_CUDA_PLUGIN)
-- Could NOT find OPENMM_OPENCL (missing: OPENMM_OPENCL_PLUGIN)
-- Could NOT find ExaFMM (missing: ExaFMM_LIBRARY)
CUDA_TOOLKIT_ROOT_DIR not found or specified
-- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY)
-- Looking for CL_VERSION_2_2
-- Looking for CL_VERSION_2_2 - not found
-- Looking for CL_VERSION_2_1
-- Looking for CL_VERSION_2_1 - not found
-- Looking for CL_VERSION_2_0
-- Looking for CL_VERSION_2_0 - not found
-- Looking for CL_VERSION_1_2
-- Looking for CL_VERSION_1_2 - not found
-- Looking for CL_VERSION_1_1
-- Looking for CL_VERSION_1_1 - not found
-- Looking for CL_VERSION_1_0
-- Looking for CL_VERSION_1_0 - not found
-- OpenCL not found
-- full build chosen
CMake Error at CMakeLists.txt:814 (target_compile_definitions):
Unknown CMake command "target_compile_definitions".


-- Configuring incomplete, errors occurred!
=====
ERROR cmake configure failed
check cmake log files and try again.


I don't know exactly what it means to empty the directory to create a process.
(Is it right erase charmm/build? or Do I need to reset the build directory process?)


This is a list in the charmm folder in my cluster.
[sohyeon@theochem11 charmm]$ ls
CMakeLists.txt ChangeLogs build configure doc install.com source sphinxdoc support test tool toppar

Last edited by sohyeon; 10/01/19 03:01 AM.