PageDump: Program execution

View a wiki page in MIME format or download it as backup of a single page. A complete dump of all pages can be produced in PhpWikiAdministration.

Preview: Page dump of Program execution

(normal formatting: latest revision only)

Date: Thu, 15 Mar 2018 20:45:49 +0100
Mime-Version: 1.0 (Produced by PhpWiki 1.3.14-20090116)
Message-Id:
<1314-20090116-1521143149+0200-tsscds%3AProgram%20execution@forge.cesga.es>
Content-Type: application/x-phpwiki;
  pagename=Program%20execution;
  flags="";
  author=Emilio%20Martinez%20Nu%C3%B1ez;
  owner=Emilio%20Martinez%20Nu%C3%B1ez;
  version=6;
  lastmodified=1521143149;
  created=1521143149;
  author_id=Emilio%20Martinez%20Nu%C3%B1ez;
  markup=2;
  hits=1299;
  charset=UTF-8
Content-Transfer-Encoding: binary

To start using any of the scripts of the program, you have to load
tsscds/2018 module:

<code>module load tsscds/2018</code>

To run the low-level calculations use:

<code>nohup llcalcs.sh molecule.dat ntasks niter runningtasks
>llcalcs.log 2>&1 &</code>

where:\\
<code>molecule</code> is  the name of your molecule\\
<code>ntasks</code> is the number of tasks\\
<code>niter</code> is the number of iterations\\
<code>runningtasks</code> is the number of simultaneous tasks

To run the high-level calculations use:

<code>nohup hlcalcs.sh molecule.dat runningtasks >hlcalcs.log 2>&1
&</code>

For more details, follow the instructions given in the [tutorial |
http://forge.cesga.es/frs/?group_id=77&release_id=21]\\

Preview as developer format | Preview as backup format

Warning: Please use one of the downloadable versions rather than copying and pasting from the above preview. The wordwrap of the preview doesn't take nested markup or list indentation into consideration! PhpWiki developers should manually inspect the downloaded file for nested markup before rewrapping with emacs and checking into CVS.

Download for backup | Download all revisions for backup | Download for CVS

Enter exact page name to dump:

TitleSearch: