Mechanics of Defect Evolution Library
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Particle Interaction Library (PIL)

Introduction

Installation

Installation Instructions (by Shao-Chin)

  • Use Intel 13.0 compiler

    Add the line to the bottom of ~/.bashrc:

    source /u/local/compilers/intel/13.0/bin/iccvars.sh intel64

    Then log out and log in. Type "which icc". You should see something like:

    /u/local/compilers/intel/13.0/composer_xe_2013.1.117/bin/intel64/icc

  • OpenMPI

    download http://www.open-mpi.org/software/ompi/v1.6/downloads/openmpi-1.6.3.tar.gz (or whatever the latest stable release).

    install OpenMPI into $HOME/local/openmpi

    Put openmpi-1.6.3.tar.gz under /tmp/<some directory>

    Run the following commands:

    $ tar xvfz openmpi-1.6.3.tar.gz

    $ cd openmpi-1.6.3

    $ ./configure –prefix=$HOME/local/openmpi –with-openib=/usr –with-sge CC=icc CXX=icpc F77=ifort FC=ifort

    $ make

    $ make install

  • Metis

    Before installing Metis, load new version of cmake

    $ module load cmake

    Download http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis/metis-5.0.2.tar.gz (or whatever the latest stable release)

    Install Metis to $HOME/local/metis

    Put metis-5.0.2.tar.gz in /tmp/<some directory>, run:

    $ tar xvfz metis-5.0.2.tar.gz

    $ cd metis-5.0.2

    $ make config prefix=$HOME/local/metis

    $ make install

  • At this point, if you type "ls $HOME/local/openmpi", you should see "bin etc include lib share" (directories). If you type "ls $HOME/local/metis", you should see "bin include lib".
  • Set up Environment "Permanently"

    After OpenMPI and Metis are installed, add the following lines to the bottom of ~/.bashrc:

    export PATH=$HOME/local/openmpi/bin:$HOME/local/metis/bin:$PATH

    export LD_LIBRARY_PATH=$HOME/local/openmpi/lib:$LD_LIBRARY_PATH

    export MANPATH=$HOME/local/openmpi/man:$MANPATH

    Reasons:

    "PATH" makes openmpi and metis' executables available to user environment.

    "LD_LIBRARY_PATH" is for dynamic linking of openmpi libraries.

    "MANPATH" is for man page (e.g. "man MPI_Init")

Tutorials

PI_chargedparticles