loading initial cache file ../cmake/presets/custom2020_04_28.cmake -- The CXX compiler identification is GNU 9.3.0 -- Check for working CXX compiler: /bin/c++ -- Check for working CXX compiler: /bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Git: /bin/git (found version "2.25.1") -- Running check for auto-generated files from make-based build system -- The C compiler identification is GNU 9.3.0 -- Check for working C compiler: /bin/cc -- Check for working C compiler: /bin/cc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Detecting C compile features -- Detecting C compile features - done -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Found JPEG: /usr/lib/x86_64-linux-gnu/libjpeg.so (found version "80") -- Found GZIP: /bin/gzip -- Found FFMPEG: /bin/ffmpeg -- Found PkgConfig: /bin/pkg-config (found version "0.29.1") -- Checking for module 'fftw3' -- Found fftw3, version 3.3.8 -- Found FFTW3: /usr/lib/x86_64-linux-gnu/libfftw3.so -- Found PythonLibs: /usr/lib/x86_64-linux-gnu/libpython3.8.so (found version "3.8.2") -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") -- Looking for C++ include cmath -- Looking for C++ include cmath - found -- HDF5: Using hdf5 compiler wrapper to determine C configuration -- Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libpthread.so;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.so;/usr/lib/x86_64-linux-gnu/libm.so (found version "1.10.4") -- Looking for C++ include immintrin.h -- Looking for C++ include immintrin.h - found CMake Warning at Modules/Packages/USER-INTEL.cmake:42 (message): USER-INTEL gives best performance with Intel compilers Call Stack (most recent call first): CMakeLists.txt:465 (include) -- Found TBB_MALLOC: /usr/lib/x86_64-linux-gnu/libtbbmalloc.so -- Pair style dpd/intel will be faster with MKL libraries -- Generating style_angle.h... -- Generating style_atom.h... -- Generating style_body.h... -- Generating style_bond.h... -- Generating style_command.h... -- Generating style_compute.h... -- Generating style_dihedral.h... -- Generating style_dump.h... -- Generating style_fix.h... -- Generating style_improper.h... -- Generating style_integrate.h... -- Generating style_kspace.h... -- Generating style_minimize.h... -- Generating style_nbin.h... -- Generating style_npair.h... -- Generating style_nstencil.h... -- Generating style_ntopo.h... -- Generating style_pair.h... -- Generating style_reader.h... -- Generating style_region.h... -- Generating packages_angle.h... -- Generating packages_atom.h... -- Generating packages_body.h... -- Generating packages_bond.h... -- Generating packages_command.h... -- Generating packages_compute.h... -- Generating packages_dihedral.h... -- Generating packages_dump.h... -- Generating packages_fix.h... -- Generating packages_improper.h... -- Generating packages_integrate.h... -- Generating packages_kspace.h... -- Generating packages_minimize.h... -- Generating packages_nbin.h... -- Generating packages_npair.h... -- Generating packages_nstencil.h... -- Generating packages_ntopo.h... -- Generating packages_pair.h... -- Generating packages_reader.h... -- Generating packages_region.h... -- Generating lmpinstalledpkgs.h... -- The Fortran compiler identification is GNU 9.3.0 -- Check for working Fortran compiler: /bin/gfortran -- Check for working Fortran compiler: /bin/gfortran -- works -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Checking whether /bin/gfortran supports Fortran 90 -- Checking whether /bin/gfortran supports Fortran 90 -- yes -- Found PythonInterp: /home/unameplaceholder/afstuderen/pythonvenvs/py38lammps/bin/python3 (found suitable version "3.8.2", minimum required is "3") -- Found PythonInterp: /home/unameplaceholder/afstuderen/pythonvenvs/py38lammps/bin/python3 (found version "3.8.2") -- Building package: ASPHERE -- Building package: BODY -- Building package: CLASS2 -- Building package: COLLOID -- Building package: COMPRESS -- Building package: CORESHELL -- Building package: DIPOLE -- Building package: GRANULAR -- Building package: KSPACE -- Building package: MANYBODY -- Building package: MC -- Building package: MESSAGE -- Building package: MISC -- Building package: MOLECULE -- Building package: PERI -- Building package: POEMS -- Building package: QEQ -- Building package: REPLICA -- Building package: RIGID -- Building package: SHOCK -- Building package: SPIN -- Building package: SNAP -- Building package: SRD -- Building package: PYTHON -- Building package: USER-ATC -- Building package: USER-AWPMD -- Building package: USER-BOCS -- Building package: USER-CGDNA -- Building package: USER-MESO -- Building package: USER-CGSDK -- Building package: USER-COLVARS -- Building package: USER-DIFFRACTION -- Building package: USER-DPD -- Building package: USER-DRUDE -- Building package: USER-EFF -- Building package: USER-FEP -- Building package: USER-H5MD -- Building package: USER-MANIFOLD -- Building package: USER-MEAMC -- Building package: USER-MGPT -- Building package: USER-MISC -- Building package: USER-MOFFF -- Building package: USER-PHONON -- Building package: USER-PTM -- Building package: USER-QTB -- Building package: USER-REAXC -- Building package: USER-SDPD -- Building package: USER-SMTBQ -- Building package: USER-SPH -- Building package: USER-TALLY -- Building package: USER-UEF -- Building package: USER-YAFF -- Building package: USER-OMP -- Building package: OPT -- Building package: USER-INTEL -- The following tools and libraries have been found and configured: * Git * LAPACK * BLAS * JPEG * PkgConfig * FFTW3 * PythonLibs * ZLIB * HDF5 * PythonInterp -- <<< Build configuration >>> Build type RelWithDebInfo Install path /home/unameplaceholder/afstuderen/pythonvenvs/py38lammps Compilers and Flags: C++ Compiler /bin/c++ Type GNU Version 9.3.0 C++ Flags -O2 -g -DNDEBUG Defines LAMMPS_SMALLBIG;LAMMPS_MEMALIGN=64;LAMMPS_EXCEPTIONS;LAMMPS_JPEG;LAMMPS_GZIP;LAMMPS_FFMPEG;FFT_FFTW3;FFT_FFTW_THREADS;LMP_PYTHON;LMP_USER_OMP;LMP_USER_INTEL;LMP_INTEL_USELRT -- Fortran Compiler /bin/gfortran Type GNU Version 9.3.0 Fortran Flags -O2 -g -DNDEBUG -- C compiler /bin/cc Type GNU Version 9.3.0 C Flags -O2 -g -DNDEBUG -- Shared library flags: -- Link libraries: mpi_stubs;/usr/lib/x86_64-linux-gnu/libjpeg.so;/usr/lib/x86_64-linux-gnu/libfftw3.so;/usr/lib/x86_64-linux-gnu/libfftw3_omp.so;/usr/lib/x86_64-linux-gnu/libpython3.8.so;colvars;lepton;cslib;/usr/lib/x86_64-linux-gnu/libz.so;m;poems;atc;awpmd;h5md;-lpthread;/usr/lib/x86_64-linux-gnu/libtbbmalloc.so -- Using FFTW3 as primary FFT library -- Using double precision FFTs -- Using threaded FFTs -- Configuring done -- Generating done CMake Warning: Manually-specified variables were not used by the project: KOKKOS