lammps_installation_19Sep13.pdf

Installation of LAMMPS-19Sep13 on OS X 10.8 chibaf 21 September 2013 LAMMPS Molecular Dynamics Simulator / Copyright (2003) Sandia Corporation. LAMMPS is a software for molecular (and particles) dynamics. It can be installed on Mac OS X with several steps. On multi-core Mac, lammps is installed with fftw 3.x and OpenMPI. This document corresponds to lammps-19Sep13. old versions are obtained from below: /tars/ Remark: the package phonon was added on lammps-11Mar13. Remark: the package voronoi was added on lammps-25Jan13. Remark: LAMMPS-19Jan13 – 24Jan13 got a compile error of msm_omp.cpp with gcc (i686-apple-darwin11-llvm-gcc-4.2 (GCC) 4.2.1 (Based on Apple Inc. build 5658) (LLVM build 2336.11.00)). then we employed gcc-4.8 from /. Remark: the package user-molfile was added on lammps-14Jun12. But this document doesnt describe installation of the package. Remark: the package USER-COLVARS was added on lammps-27May12. Remark: built without CUDA package. Remark: OS X 10.6 or later is necessary for GPU/OpenCL package. See Recent LAMMPS News for recent lammps updates. (1) OS X 10.8.x (mountain lion) is employed with MacBook Core2Duo (late 2009). (2) if you employ xcode 4.4 or later, you need to install command line tools for it. (3) downloading gcc-mlion.tar.gz from : gcc- mlion.tar.gz (4.8 / updated 2013) for os x 10.8.x Remark: gcc-4.9 of does not work well. gcc-4.7 or 4.8 of is recommended. instruction: (A) $ gunzip gcc-mlion.tar.gz (B) $ sudo tar -xf gcc-mlion.tar -C / (4) installation of OpenMPI 1.6.x downloading OpenMPI from /software/ompi/v1.6/ extracting tar file (double clicking tar.gz file) and: $ ./configure $ make all $ make check $ sudo make install # when it passes all check. (5) installation of FFTW we employ FFTW version 3.x # 29 February 2012 /download.html extracting tar file (double clicking tar.gz file) and: $ ./configure $ make all $ make check $ sudo make install (6) installing OpenKIM (Open Knowledge base Interatomic Model) --- Option: i