Loading doc/src/Build_extras.txt +0 −44 Original line number Diff line number Diff line Loading @@ -30,7 +30,6 @@ This is the list of packages that may require additional steps. "KIM"_#kim, "KOKKOS"_#kokkos, "LATTE"_#latte, "MEAM"_#meam, "MESSAGE"_#message, "MSCG"_#mscg, "OPT"_#opt, Loading Loading @@ -351,49 +350,6 @@ the compiler you use on your system to build LATTE. :line MEAM package :h4,link(meam) NOTE: the use of the MEAM package is discouraged, as it has been superseded by the USER-MEAMC package, which is a direct translation of the Fortran code in the MEAM library to C++. The code in USER-MEAMC should be functionally equivalent to the MEAM package, fully supports use of "pair_style hybrid"_pair_hybrid.html (the MEAM package does not), and has optimizations that make it significantly faster than the MEAM package. [CMake build]: No additional settings are needed besides "-D PKG_MEAM=yes". [Traditional make]: Before building LAMMPS, you must build the MEAM library in lib/meam. You can build the MEAM library manually if you prefer; follow the instructions in lib/meam/README. You can also do it in one step from the lammps/src dir, using a command like these, which simply invoke the lib/meam/Install.py script with the specified args: make lib-meam # print help message make lib-meam args="-m mpi" # build with default Fortran compiler compatible with your MPI library make lib-meam args="-m serial" # build with compiler compatible with "make serial" (GNU Fortran) make lib-meam args="-m ifort" # build with Intel Fortran compiler using Makefile.ifort :pre NOTE: You should test building the MEAM library with both the Intel and GNU compilers to see if a simulation runs faster with one versus the other on your system. The build should produce two files: lib/meam/libmeam.a and lib/meam/Makefile.lammps. The latter is copied from an existing Makefile.lammps.* and has settings needed to link C++ (LAMMPS) with Fortran (MEAM library). Typically the two compilers used for LAMMPS and the MEAM library need to be consistent (e.g. both Intel or both GNU compilers). If necessary, you can edit/create a new lib/meam/Makefile.machine file for your system, which should define an EXTRAMAKE variable to specify a corresponding Makefile.lammps.machine file. :line MESSAGE package :h4,link(message) This package can optionally include support for messaging via sockets, Loading doc/src/Build_package.txt +0 −1 Original line number Diff line number Diff line Loading @@ -41,7 +41,6 @@ packages: "KIM"_Build_extras.html#kim, "KOKKOS"_Build_extras.html#kokkos, "LATTE"_Build_extras.html#latte, "MEAM"_Build_extras.html#meam, "MESSAGE"_Build_extras.html#message, "MSCG"_Build_extras.html#mscg, "OPT"_Build_extras.html#opt, Loading Loading
doc/src/Build_extras.txt +0 −44 Original line number Diff line number Diff line Loading @@ -30,7 +30,6 @@ This is the list of packages that may require additional steps. "KIM"_#kim, "KOKKOS"_#kokkos, "LATTE"_#latte, "MEAM"_#meam, "MESSAGE"_#message, "MSCG"_#mscg, "OPT"_#opt, Loading Loading @@ -351,49 +350,6 @@ the compiler you use on your system to build LATTE. :line MEAM package :h4,link(meam) NOTE: the use of the MEAM package is discouraged, as it has been superseded by the USER-MEAMC package, which is a direct translation of the Fortran code in the MEAM library to C++. The code in USER-MEAMC should be functionally equivalent to the MEAM package, fully supports use of "pair_style hybrid"_pair_hybrid.html (the MEAM package does not), and has optimizations that make it significantly faster than the MEAM package. [CMake build]: No additional settings are needed besides "-D PKG_MEAM=yes". [Traditional make]: Before building LAMMPS, you must build the MEAM library in lib/meam. You can build the MEAM library manually if you prefer; follow the instructions in lib/meam/README. You can also do it in one step from the lammps/src dir, using a command like these, which simply invoke the lib/meam/Install.py script with the specified args: make lib-meam # print help message make lib-meam args="-m mpi" # build with default Fortran compiler compatible with your MPI library make lib-meam args="-m serial" # build with compiler compatible with "make serial" (GNU Fortran) make lib-meam args="-m ifort" # build with Intel Fortran compiler using Makefile.ifort :pre NOTE: You should test building the MEAM library with both the Intel and GNU compilers to see if a simulation runs faster with one versus the other on your system. The build should produce two files: lib/meam/libmeam.a and lib/meam/Makefile.lammps. The latter is copied from an existing Makefile.lammps.* and has settings needed to link C++ (LAMMPS) with Fortran (MEAM library). Typically the two compilers used for LAMMPS and the MEAM library need to be consistent (e.g. both Intel or both GNU compilers). If necessary, you can edit/create a new lib/meam/Makefile.machine file for your system, which should define an EXTRAMAKE variable to specify a corresponding Makefile.lammps.machine file. :line MESSAGE package :h4,link(message) This package can optionally include support for messaging via sockets, Loading
doc/src/Build_package.txt +0 −1 Original line number Diff line number Diff line Loading @@ -41,7 +41,6 @@ packages: "KIM"_Build_extras.html#kim, "KOKKOS"_Build_extras.html#kokkos, "LATTE"_Build_extras.html#latte, "MEAM"_Build_extras.html#meam, "MESSAGE"_Build_extras.html#message, "MSCG"_Build_extras.html#mscg, "OPT"_Build_extras.html#opt, Loading
