But it's always nice with some new and shiny.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.
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
Upgrading
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:
~/.ecce/ecce-6.3e/server/ecce-admin/stop_ecce_server
Make your ecce install file executable and run it:
chmod +x install_ecce.v6.4.rhel5-gcc4.1.2-m64.csh ./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 http://ecce.pnl.gov/docs/installation/2864B-Installation.pdf Hitat 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: /home/me/.ecce/ecce-v6.4/server/ecce-admin/start_ecce_server -- 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 endif 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 fi ***************************************************************
And then
/home/me/.ecce/ecce-v6.4/server/ecce-admin/start_ecce_server /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) startedPut 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 ecce
