23 October 2012

264. Upgrade to ECCE 6.4 on Debian Testing

There's little reason to upgrade from 6.3 to 6.4 since
Other than open source availability and bundling the latest NWChem 6.1.1, the ECCE 6.4 release is otherwise equivalent to the 6.3 release.  
But it's always nice with some new and shiny.

For general instructions on how to install ecce from scratch, see e.g. http://verahill.blogspot.com.au/2012/06/ecce-in-virtual-machine-step-by-step.html

Go here to download the latest release. You will be asked to supply your name, email address and the name of your institution. However, you no longer need to register.

Download the file install_ecce.v6.4.rhel5-gcc4.1.2-m64.csh (full binary + builder). And yes, you can use wget for that.
Stop the ecce server if it's running:

Make your ecce install file executable and run it:
chmod +x install_ecce.v6.4.rhel5-gcc4.1.2-m64.csh

which launches the installation:
Extracting ECCE distribution from ./install_ecce.v6.4.rhel5-gcc4.1.2-m64.csh...

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] 4
Host name: [beryllium] 
New application installation directory: [/home/me/tmp/ecce-v6.4/apps] /home/me/.ecce/ecce-v6.4/apps
Existing application directory to upgrade: /home/me/.ecce/ecce-v6.3e/apps

Backup existing server user data (yes/no)? [yes]

ECCE v6.4 will be installed using the settings:

  Installation type: [full upgrade]
  Host name: [beryllium]
  Application installation directory: [/home/me/.ecce/ecce-v6.4/apps]
  Application directory to upgrade: [/home/me/.ecce/ecce-6.3e/apps]
  Server installation directory: [/home/me/.ecce/ecce-v6.4/server]
  Server directory to upgrade: [/home/me/.ecce/ecce-6.3e/server]
  Backup existing server user data: [yes]

Are these choices correct (yes/no/quit)? [yes] 
Installing ECCE application software in /home/me/.ecce/ecce-v6.4/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/me/.ecce/ecce-v6.4/server...
  Extracting data server in /home/me/.ecce/ecce-v6.4/server/httpd...
  Extracting data libraries in /home/me/.ecce/ecce-v6.4/server/data...
  Extracting Java Messaging Server in /home/me/.ecce/ecce-v6.4/server/activemq...
  Configuring ECCE server...
  Copying user data from server to be upgraded...
  Copying share data from server to be upgraded...

ECCE installation succeeded.

!! You MUST perform the following steps in order to use ECCE !!
-- Unless only the user 'me' will be running ECCE,
   start the ECCE server as 'me' 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/me/.ecce/ecce-v6.4/apps/scripts/runtime_setup ) then
       source /home/me/.ecce/ecce-v6.4/apps/scripts/runtime_setup
   For sh/bash users, add this to ~/.profile or ~/.bashrc:
     if [ -e /home/me/.ecce/ecce-v6.4/apps/scripts/runtime_setup.sh ]; then
       . /home/me/.ecce/ecce-v6.4/apps/scripts/runtime_setup.sh

And then
/home/me/.ecce/ecce-v6.4/server/httpd/bin/apachectl start: httpd started
[1] 25382
INFO  BrokerService         
- ActiveMQ 5.1.0 JMS Message Broker (localhost) is starting
INFO  BrokerService      
- ActiveMQ JMS Message Broker (localhost, ID:beryllium-46481-1350964505499-0:0) started

Put the following in your ~/.bashrc

export ECCE_HOME=/home/me/.ecce/ecce-v6.4/apps
export PATH=${ECCE_HOME}/scripts:${ECCE_HOME}/scripts/parsers:${PATH}$

And run:
source ~/.bashrc

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