Changes between Version 34 and Version 35 of ApplicationScripts

Timestamp:

07/21/14 16:00:32 (10 years ago)

Author:

piontek

Comment:

--

ApplicationScripts

@@ -14 +14 @@
 {{{
 MATLAB * /opt/qcg-app-scripts/apps/matlab.app
-NAMD * /opt/qcg-app-scripts/apps/namd.app
+NAMD 6.2 /opt/qcg-app-scripts/apps/namd-6.2.app
 bash * /opt/qcg-app-scripts/apps/bash.app
 R * /opt/qcg-app-scripts/apps/R.app
-CFX * /opt/qcg-app-scripts/apps/cfx.app
-fluent * /opt/qcg-app-scripts/apps/fluent.app
-nwchem * /opt/qcg-app-scripts/apps/nwchem.app
-g09     * /opt/qcg-app-scripts/apps/g09.app
 }}}
 The scripts for the most common applications are provided by the `qcg-appscripts` RPM package.
@@ -77 +73 @@
 == Installation ==
 To install QCG application scripts:
-1. install `qcg-appscripts` RPM package
+1. install (as root) the `qcg-appscripts` RPM package
+{{{
+yum install qcg-appscripts
+}}}
 2. edit `/etc/qcg/qcg-comp/app-scripts/config` configuration file and set `cluster_shared_path` variable to point to a directory shared by all worker nodes
-3. launch `qcg-appscripts-deploy` script
+3. launch the `qcg-appscripts-deploy` script
 4. edit/create application configuration files in `$cluster_shared_path/apps` directory and refer to them in the QCG-Computing application mapping file (`/etc/qcg/qcg-comp/application_mapfile`)
 
 
 == Upgrade ==
-After instalation of new QCG application scripts package:
+After installation of new QCG application scripts package:
+
 1. launch `qcg-appscripts-deploy` script to update files in shared directory.
 
-  `qcg-appscripts-deploy` updates directories `app-scripts`, `core`, `tools`. `apps` directories (besides `bash.app`, `common.app` and `template.app` is not overwritten.
+'''IMPORTANT:'''
+`qcg-appscripts-deploy` updates directories `app-scripts`, `core`, `tools`. 
+
+`apps` directories (besides `bash.app`, `common.app` and `template.app`) are not overwritten.
 
 
 = New application =
-To handle application, following elements must be provided:
+To handle a application, the following elements must be provided:
 * application configuration file (script in `apps` directory),
 * application script (script in `app-scripts` directory),
@@ -99 +102 @@
 == Application configuration file ==
 
-The application configuration file is simple script that:
+The application configuration file is a simple script that:
 * loads the required modules or sets PATH/LD_LIBRARY_PATH variables,
 * calls proper application script (from the `app-scripts` directory).
 
-To create new application configuration `apps/template.app` file can be used as a base. 
+To create a new application configuration the `apps/template.app` file can be used as a base. 
 
 Example application configuration file for NAMD application:
@@ -123 +126 @@
 * validation of input arguments,
 * preparation of input data,
-* application launch with proper parameters,
+* launching the application with proper parameters,
 * optional post processing of output data/files.
 
@@ -152 +155 @@
 }}}
 
-Every application script should include `core.qcg` script which provides rich function library that can be used by application scripts. In the above simple example, application script only validates number of arguments and uses `qcg_app_wrapper` function to launch MPI version of the NAMD application. The `qcg_app_wrapper` function should always be used to launch application, as it also activates other QCG mechanism such as: user's pre-processing & post-processing scripts, application monitoring, output file notifications, mounting remote file systems etc.
-
-Any modification/conversion of input file should be done in function `qcg_pre_callback`, for example:
+Every application script has to include the `core.qcg` script which provides rich function library that can be used by application scripts. In the above simple example, the application script only validates number of arguments and uses the `qcg_app_wrapper` function to launch MPI version of the NAMD application. The `qcg_app_wrapper` function should always be used to launch application, as it also activates other QCG mechanisms such as: user's pre-processing & post-processing scripts, application monitoring, output file notifications, mounting remote file systems etc.
+
+Any modification/conversion of input files should be done in the `qcg_pre_callback` function, for example:
 {{{
 function qcg_pre_callback {
@@ -172 +175 @@
 
 = New application version =
-To create new version of already supported application, it is sufficient to:
-1. copy existing application configuration file, eg:
+To create a new version of the already supported application, it is sufficient:
+1. to copy the existing application configuration file, eg:
 {{{
 cp /opt/qcg-app-scripts/apps/namd.app /opt/qcg-app-scripts/apps/namd-6.2.app
 }}}
-2. change loaded module and/or environment variables in `$cluster_shared_path/apps/namd-6.2.app`
-3. add new application version to the QCG application mapping file (`/etc/qcg/qcg-comp/application_mapfile`), eg:
+2. to change the module to be loaded and/or environment variables in `$cluster_shared_path/apps/namd-6.2.app`
+3. to add a new application version to the QCG application mapping file (`/etc/qcg/qcg-comp/application_mapfile`), eg:
 {{{
 ...