diff --git a/src/MAKE/README b/src/MAKE/README new file mode 100644 index 000000000..2e6c83d02 --- /dev/null +++ b/src/MAKE/README @@ -0,0 +1,76 @@ +This directory and its sub-directories contain machine Makefiles for +LAMMPS. The use of machine Makefiles and their settings are discussed +in Section 2 of the manual. + +If you are new to LAMMPS, try one of the files in this directory +first. + +Then you can try files in the sub-directories with more options you +may need, or that are specific to a machine you are running on. + +If none of the existing files work, you can edit a file in either +directory to create your own customized Makefile.machine. Put it in +the USER directory if you want to avoid conflicts with the Makefiles +distributed with LAMMPS. + +----------------------------------- + +This directory has two generic Makefiles which should work as-is on +many platforms. + +Makefile.mpi assumes MPI is installed on your machine +Makefile.serial build without MPI for serial execution (single core) + +Makefile.mpi builds with the mpicxx wrapper provided with all MPI +installations. It uses a default compiler (the one MPI was built +with) and should work with whatever version of MPI is installed +(OpenMPI, MPICH, vendor, etc). + +Makefile.serial builds without MPI, using the GNU g++ compiler. It +uses the dummy MPI library in src/STUBS, which you can pre-build via +"make stubs" in the src dir. See Makefile.serial_icc in the OPTIONS +dir for the same thing using the Intel icc compiler instead of g++. + +----------------------------------- + +The OPTIONS directory has several Makefiles that extend either +Makefile.mpi or Makefile.serial to enable use of different compilers, +different MPIs, or several package and command options that LAMMPS +supports. + + + + +Makefile.serial_icc = build without MPI for serial execution (single core) + +The fftw, jpg, and png Makefiles are the same as Makefile.mpi +except they each add settings for commonly used options (FFTW, JPG, PNG) +to illustrate how they can be added to any Makefile. + + +What about OPTIONS and MACHINES and CUSTOM/USER + + + +Makefile.fftw = add FFTW support to Makefile.mpi for long-range Coulombics +Makefile.jpg = add JPG support to Makefile.mpi for dump image command +Makefile.png = add PNG support to Makefile.mpi for dump image command + +Makefile.intel +Makefile.intel_offload +Makefile.kokkos_omp +Makefile.kokkos_cuda +Makefile.kokkos_phi + + +------------------------------------ + +The MACHINE sub-directory has many Makefiles, each of which has been +setup for a specific kind of machine or a specific supercomputer. + +Examples include + +Makefile.mac Macintosh +Makefile.xe6 Cray XE6 +Makefile.bgp IBM BG/Q +Makefile.stampede U Texas "stampede" machine