Feb 2, 2016

Install ECCE pada Linux 32 Bit

Download source ECCE 32 bit di http://ecce.emsl.pnl.gov/using/download.shtml

Pada terminal:

sudo apt-get install bzip2 build-essential autoconf libtool ant pkg-config gtk+-2.0-dev libxt-dev csh gfortran openjdk-7-jdk python-dev libjpeg-dev imagemagick xterm

Jika ada masalah, misal muncul:
E:Encountered a section with no Package: header
E:Problem with MergeList /var/lib/apt/lists/extra.linuxmint.com_dists_rebecca_main_i18n_Translation-en
E:The package lists or status file could not be parsed or opened.

sudo rm /var/lib/apt/lists/* -vf

tar xvf ecce-v7.0-src.tar.bz2

cd ecce-v

export ECCE_HOME=`pwd`

cd build/


    Hit return if xterm was found...
    The /home/darlin/tmp/ecce-v7.0/scripts/sysdir script identifies the build
    platform directory as: empty
    Because this value is empty no platform-specific parent
    directory will be created for ECCE executables, libraries, etc.
    This works fine unless your site needs support for multiple platforms.
    Finished checking prerequisites for building ECCE.
    Do you want to skip these checks for future build_ecce invocations (y/n)? Y


    Xerces built


    Mesa OpenGL built


    wxWidgets built


    running build_ext
    wxPython built


    Apache HTTP server built


    Making combined tar file ecce-v7.0.tar
    Copying NWChem binary distribution nwchem-6.1.1-binary-rhel5-gcc4.1.2-m64.tar.bz2
    Copying NWChem common distribution nwchem-6.1.1-binary-common.tar.bz2
    Concatenating install script and combined tar file ecce-v7.0.tar
    create_ecce_bin finished

Jika ada masalah, update dependecynya:
sudo apt-get install libgstreamer0.10-dev libgstreamer-plugins-base0.10-dev libgconf2-dev libtiff-dev libwxgtk2.8-dev

Kemudian masuk ke:

$ECCE_HOME/src/inv/flclient/tlfreetype.c dan $ECCE_HOME/src/inv/flclient/flfreetype.h

Pada flfreetype.c ganti #include <freetype/ftoutln.h> menjadi #include <freetype2/ftoutln.h>

Pada flfreetype.h ganti #include <freetype/freetype.h> menjadi #include <freetype2/freetype.h>

Kompilasi lagi hingga:

Copying JMS server distribution jms_server.tar.bz2
Making server tar file ecce_server.tar
Copying WebHelp tar file eccewebhelp.tar.bz2
Making combined tar file
Copying NWChem distribution
Concatenating install script and combined tar file
create_ecce_bin finished

Proses kompilasi selesai.


Masuk ke folder kompilasi:

cd ../

And see the next section for the installation steps.
The compilation steps take progressively longer and longer, so be patient during the build.
Digital ink is cheap, so I'll show the whole process:


    Main ECCE installation menu
    1) Help on main menu options
    2) Prerequisite software check
    3) Full install
    4) Full upgrade
    5) Application software install
    6) Application software upgrade
    7) Server install
    8) Server upgrade

    IMPORTANT: If you are uncertain about any aspect of installing
    or running ECCE at your site, please refer to the detailed
    ECCE Installation and Administration Guide at

    Hit  at prompts to accept the default value in brackets.

    Selection: [1] 3
    Host name: [beryllium] localhost
    Application installation directory: [/home/darlin/tmp/ecce-v7.0/ecce-v7.0/apps] /home/darlin/.ecce/apps
    Server installation directory: [/home/darlin/.ecce/server]
    ECCE v7.0 will be installed using the settings:

      Installation type: [full install]
      Host name: [localhost]
      Application installation directory: [/home/darlin/.ecce/apps]
      Server installation directory: [/home/darlin/.ecce/server]

    Are these choices correct (yes/no/quit)? [yes]

    Installing ECCE application software in /home/darlin/.ecce/apps...
      Extracting application distribution...
      Extracting NWChem binary distribution...
      Extracting NWChem common distribution...
      Extracting client WebHelp distribution...
      Configuring application software...
      Configuring NWChem...

    Installing ECCE server in /home/darlin/.ecce/server...
      Extracting data server in /home/darlin/.ecce/server/httpd...
      Extracting data libraries in /home/darlin/.ecce/server/data...
      Extracting Java Messaging Server in /home/darlin/.ecce/server/activemq...
      Configuring ECCE server...

    ECCE installation succeeded.
    !! You MUST perform the following steps in order to use ECCE !!
    -- Unless only the user 'darlin' will be running ECCE,
       start the ECCE server as 'darlin' with:

    -- To register machines to run computational codes, please see
       the installation and compute resource registration manuals
       at http://ecce.pnl.gov/using/installguide.shtml

    -- Before running ECCE each user must source an environment
       setup script.  For csh/tcsh users add this to ~/.cshrc:
         if ( -e /home/darlin/.ecce/apps/scripts/runtime_setup ) then
           source /home/darlin/.ecce/apps/scripts/runtime_setup
       For sh/bash users, add this to ~/.profile or ~/.bashrc:
         if [ -e /home/darlin/.ecce/apps/scripts/runtime_setup.sh ]; then
           . /home/darlin/.ecce/apps/scripts/runtime_setup.sh

Proses install selesai

  • su 
  • csh
  • vim.tiny /etc/csh.cshrc
  • copy (*) ke /etc/csh.cshrc
if ( -e /home/darlin/.ecce/apps/scripts/runtime_setup ) then
source /home/darlin/.ecce/apps/scripts/runtime_setup
  • source /etc/csh.cshrc
  • exit 
  • cp ecce-v7.0/apps/scripts/ecce /usr/local/bin
  • exit
  • csh ecce


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