Hi All,
I tried to install kokkos in my lammps_gpu, via the cmake command, but got the error below.
CMake Warning at CMakeLists.txt:225 (add_executable):
Cannot generate a safe runtime search path for target lmp because files in
some directories may conflict with libraries in implicit directories:
runtime library [libcuda.so.1] in /usr/lib/x86_64-linux-gnu may be hidden by files in:
/usr/lib/wsl/lib
Some of these libraries may not be found correctly.
I need help to solve this problem. The full installation info is given below.
cugwuegbu@LAPTOP-LSERRUN1:~/lammps_gpu/build$ cmake -C …/cmake/presets/kokkos-openmp.cmake -D Kokkos_ARCH_HOSTARCH=yes -D Kokkos_ARCH_GPUARCH=yes -D Kokkos_ARCH_VOLTA70=ON -D Kokkos_ENABLE_CUDA=yes -D Kokkos_ENABLE_OPENMP=yes -D BUILD_OMP=yes …/cmake
loading initial cache file …/cmake/presets/kokkos-openmp.cmake
– Running check for auto-generated files from make-based build system
– Found OpenMP_CXX: -fopenmp (found version “4.5”)
– Could NOT find VORO (missing: VORO_LIBRARY VORO_INCLUDE_DIR)
– Voro++ download requested - we will build our own
– Could NOT find Eigen3 (missing: Eigen3_DIR)
– Eigen3 download requested - we will build our own
– Checking for module ‘libzstd>=1.4’
– No package ‘libzstd’ found
– KOKKOS: Enabling CUDA LAMBDA function support
– Setting default Kokkos CXX standard to 14
– The project name is: Kokkos
– Compiler Version: 11.5.119
– kokkos_launch_compiler (/home/cugwuegbu/lammps_gpu/lib/kokkos/bin/kokkos_launch_compiler) is enabled…
– Using -std=c++14 for C++14 standard as feature
– Built-in Execution Spaces:
– Device Parallel: Kokkos::Cuda
– Host Parallel: Kokkos::OpenMP
– Host Serial: SERIAL
– Architectures:
– VOLTA70
– Using internal desul_atomics copy
– Kokkos Devices: OPENMP;CUDA;SERIAL, Kokkos Backends: OPENMP;CUDA;SERIAL
– Found OpenMP_CXX: -fopenmp (found version “4.5”)
– Generating style headers…
– Generating package headers…
– Generating lmpinstalledpkgs.h…
– Could NOT find ClangFormat (missing: ClangFormat_EXECUTABLE) (Required is at least version “8.0”)
– The following tools and libraries have been found and configured:
- Git
- MPI
- LAPACK
- BLAS
- ZLIB
- CUDAToolkit
- TPLCUDA
- TPLLIBDL
- Threads
- CUDA
- OpenMP
- FFTW3
– <<< Build configuration >>>
LAMMPS Version: 20230802 stable_2Aug2023_update3-modified
Operating System: Linux Ubuntu" 22.04
CMake Version: 3.22.1
Build type: RelWithDebInfo
Install path: /home/cugwuegbu/.local
Generator: Unix Makefiles using /usr/bin/gmake
– Enabled packages: AMOEBA;ASPHERE;BOCS;BODY;BPM;BROWNIAN;CG-DNA;CG-SPICA;CLASS2;COLLOID;COLVARS;COMPRESS;CORESHELL;DIELECTRIC;DIFFRACTION;DIPOLE;DPD-BASIC;DPD-MESO;DPD-REACT;DPD-SMOOTH;DRUDE;EFF;ELECTRODE;EXTRA-COMPUTE;EXTRA-DUMP;EXTRA-FIX;EXTRA-MOLECULE;EXTRA-PAIR;FEP;GPU;GRANULAR;INTERLAYER;KOKKOS;KSPACE;LEPTON;MACHDYN;MANYBODY;MC;MEAM;MESONT;MISC;ML-IAP;ML-POD;ML-SNAP;MOFFF;MOLECULE;OPENMP;OPT;ORIENT;PERI;PHONON;PLUGIN;POEMS;QEQ;REACTION;REAXFF;REPLICA;RIGID;SHOCK;SPH;SPIN;SRD;TALLY;UEF;VORONOI;YAFF
– <<< Compilers and Flags: >>>
– C++ Compiler: /usr/bin/c++
Type: GNU
Version: 6.4.0
C++ Flags: -O2 -g -DNDEBUG
Defines: LAMMPS_SMALLBIG;LAMMPS_MEMALIGN=64;LAMMPS_OMP_COMPAT=3;LAMMPS_GZIP;LAMMPS_FFMPEG;FFT_FFTW3;FFT_FFTW_THREADS;EIGEN_NO_CUDA;LMP_OPENMP;$<BUILD_INTERFACE:LMP_KOKKOS>;FFT_CUFFT;LMP_GPU;LMP_PLUGIN
– Fortran Compiler: /usr/bin/f95
Type: GNU
Version: 11.4.0
Fortran Flags: -O2 -g -DNDEBUG
– C compiler: /usr/bin/cc
Type: GNU
Version: 6.4.0
C Flags: -O2 -g -DNDEBUG
– <<< Linker flags: >>>
– Executable name: lmp
– Static library flags:
– <<< MPI flags >>>
– MPI_defines: MPICH_SKIP_MPICXX;OMPI_SKIP_MPICXX;_MPICC_H
– MPI includes: /home/cugwuegbu/SOFTWARE/OpenMPI/openmpi-5.0.0/build/include
– MPI libraries: /home/cugwuegbu/SOFTWARE/OpenMPI/openmpi-5.0.0/build/lib/libmpi.so;
– <<< GPU package settings >>>
– GPU API: CUDA
– CUDA Compiler: /usr/local/cuda-12.3/bin/nvcc
– GPU default architecture: sm_50
– GPU binning with CUDPP: no
– CUDA MPS support: yes
– GPU precision: DOUBLE
– Kokkos Devices: CUDA;CUDA_LAMBDA;OPENMP;SERIAL
– Kokkos Architecture: GPUARCH;HOSTARCH;VOLTA70
– <<< FFT settings >>>
– Primary FFT lib: FFTW3
– Using double precision FFTs
– Using threaded FFTs
– Kokkos FFT: cuFFT
– <<< Building Tools >>>
– Configuring done
CMake Warning at CMakeLists.txt:225 (add_executable):
Cannot generate a safe runtime search path for target lmp because files in
some directories may conflict with libraries in implicit directories:
runtime library [libcuda.so.1] in /usr/lib/x86_64-linux-gnu may be hidden by files in:
/usr/lib/wsl/lib
Some of these libraries may not be found correctly.