(py-3.8.3) [tang@grendel-s-s96n41:lammps]$ tar -xf stable_29Sep2021_update3.tar.gz
(py-3.8.3) [tang@grendel-s-s96n41:build-intel-2018-2]$ cd lammps-stable_29Sep2021_update3
(py-3.8.3) [tang@grendel-s-s96n41:lammps-stable_29Sep2021_update3]$ mkdir build-intel-2018-2
(py-3.8.3) [tang@grendel-s-s96n41:lammps-stable_29Sep2021_update3]$ cd build-intel-2018-2
(py-3.8.3) [tang@grendel-s-s96n41:build-intel-2018-2]$ module load cmake/3.19.0
(py-3.8.3) [tang@grendel-s-s96n41:build-intel-2018-2]$ module load intel/2018.2.199
(py-3.8.3) [tang@grendel-s-s96n41:build-intel-2018-2]$ module load mpich/3.2
(py-3.8.3) [tang@grendel-s-s96n41:build-intel-2018-2]$ module load fftw/3.3.8
(py-3.8.3) [tang@grendel-s-s96n41:build-intel-2018-2]$ cmake ../cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DCMAKE_Fortran_COMPILER=mpifort -D PKG_MOLECULE=on -D PKG_KSPACE=on
-- The CXX compiler identification is Intel 18.0.2.20180210
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /comm/swstack/core/intel-2018.2.199/mpich/3.2/bin/mpicxx - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found Git: /usr/bin/git (found version "1.8.3.1") 
-- Appending /comm/swstack/core/intel-2018.2.199/mpich-3.2/fftw/3.3.8/lib:/comm/swstack/core/intel-2018.2.199/mpich/3.2/lib:/comm/swstack/core/gcc/6.3.0/lib64:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/daal/../tbb/lib/intel64_lin/gcc4.4:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/daal/lib/intel64_lin:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/tbb/lib/intel64/gcc4.4:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/mkl/lib/intel64_lin:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/compiler/lib/intel64:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/ipp/lib/intel64:/comm/swstack/tools/ffmpeg/3.4.1/lib to CMAKE_LIBRARY_PATH: /comm/swstack/core/intel-2018.2.199/mpich-3.2/fftw/3.3.8/lib:/comm/swstack/core/intel-2018.2.199/mpich/3.2/lib:/comm/swstack/core/gcc/6.3.0/lib64:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/daal/../tbb/lib/intel64_lin/gcc4.4:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/daal/lib/intel64_lin:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/tbb/lib/intel64/gcc4.4:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/mkl/lib/intel64_lin:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/compiler/lib/intel64:/comm/swstack/core/intel/2018.2.199/compilers_and_libraries_2018.2.199/linux/ipp/lib/intel64:/comm/swstack/tools/ffmpeg/3.4.1/lib
-- Running check for auto-generated files from make-based build system
-- Found MPI_CXX: /comm/swstack/core/intel-2018.2.199/mpich/3.2/bin/mpicxx (found version "3.1") 
-- Found MPI: TRUE (found version "3.1")  
-- Looking for C++ include omp.h
-- Looking for C++ include omp.h - found
-- Found OpenMP_CXX: -qopenmp (found version "5.0") 
-- Found OpenMP: TRUE (found version "5.0")  
-- Found PNG: /usr/lib64/libpng.so (found version "1.5.13") 
-- Found ZLIB: /usr/lib64/libz.so (found version "1.2.7") 
-- Found GZIP: /usr/bin/gzip  
-- Found FFMPEG: /comm/swstack/tools/ffmpeg/3.4.1/bin/ffmpeg  
-- Found PkgConfig: /usr/bin/pkg-config (found version "0.27.1") 
-- Checking for module 'fftw3'
--   Found fftw3, version 3.3.8
-- Found FFTW3: /comm/swstack/core/intel-2018.2.199/mpich-3.2/fftw/3.3.8/lib/libfftw3.so  
-- Looking for C++ include cmath
-- Looking for C++ include cmath - found
-- 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
 * OpenMP
 * PNG
 * ZLIB
 * PkgConfig
 * FFTW3

-- <<< Build configuration >>>
   Operating System: Linux CentOS Linux 7
   Build type:       RelWithDebInfo
   Install path:     /home/tang/.local
   Generator:        Unix Makefiles using /usr/bin/gmake
-- Enabled packages: KSPACE;MOLECULE
-- <<< Compilers and Flags: >>>
-- C++ Compiler:     /comm/swstack/core/intel-2018.2.199/mpich/3.2/bin/mpicxx
      Type:          Intel
      Version:       18.0.2.20180210
      C++ Flags:     -restrict -O2 -g -DNDEBUG
      Defines:       LAMMPS_SMALLBIG;LAMMPS_MEMALIGN=64;LAMMPS_OMP_COMPAT=3;LAMMPS_PNG;LAMMPS_GZIP;LAMMPS_FFMPEG;FFT_FFTW3;FFT_FFTW_THREADS
      Options:       -xHost
-- <<< Linker flags: >>>
-- Executable name:  lmp
-- Static library flags:    
-- <<< MPI flags >>>
-- MPI_defines:      MPICH_SKIP_MPICXX;OMPI_SKIP_MPICXX;_MPICC_H
-- MPI includes:     
-- MPI libraries:    ;
-- <<< FFT settings >>>
-- Primary FFT lib:  FFTW3
-- Using double precision FFTs
-- Using threaded FFTs
-- Configuring done
-- Generating done
-- Build files have been written to: /home/tang/opt/lammps/lammps-stable_29Sep2021_update3/build-intel-2018-2
(py-3.8.3) [tang@grendel-s-s96n41:build-intel-2018-2]$ make -j 8