Difference between revisions of "DL Poly Classic Installation"

From Supercomputación y Cálculo Científico UIS
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== Installation ==
 
== Installation ==
 
1. First you need to check is Tcsh is intalled
 
1. First you need to check is Tcsh is intalled
{{Command|<nowiki>aptitude search build-essential
+
{{Command|<nowiki>aptitude install tcsh</nowiki>}}
aptitude install tcsh</nowiki>}}
 
 
 
 
2. Go to and check the download instructions:
 
2. Go to and check the download instructions:
 
 
  http://www.ccp5.ac.uk/DL_POLY_CLASSIC/
 
  http://www.ccp5.ac.uk/DL_POLY_CLASSIC/
 
+
{{Note|<nowiki>Check MPI and basic libraries</nowiki>}}
 
+
3. Download and untar in a common location, for instance /usr/local/
 
+
4. Edit /etc/profile.d/apps.sh and add the following lines.  Then replicate these changes in the apps.sh file of every node.
 
 
 
 
{{Note|<nowiki>The compilers must be:
 
GCC: 4.5.0 and above; LLVM Clang: 3.4 and above; Intel ICC: 14.0.1</nowiki>}}
 
 
 
5. Edit /etc/profile.d/apps.sh and add the following lines.  Then replicate these changes in the apps.sh file of every node.
 
 
{{File|/etc/profile.d/apps.sh|<pre><nowiki>
 
{{File|/etc/profile.d/apps.sh|<pre><nowiki>
 
...
 
...
echo '#DL Poly Classic' >> gatico
+
#DL Poly Classic
echo 'export PATH=$PATH:/usr/local/dl_class_1.9' >> gatico
+
export PATH=$PATH:/usr/local/dl_class_1.9
 
...
 
...
 
</nowiki></pre>}}
 
</nowiki></pre>}}
 +
5. Test using the test exercises found in the same location of the sources.
 +
{{Note|<nowiki>The Java GUI can't be installed.  It should be installed in the client machine and the proyect files uploaded</nowiki> }}
  
 
           </p>
 
           </p>

Revision as of 16:01, 27 April 2015


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DL Poly Classic Installation

DL Poly Classic 1.9 on Debian 7.0

Installation

1. First you need to check is Tcsh is intalled

aptitude install tcsh

2. Go to and check the download instructions:

http://www.ccp5.ac.uk/DL_POLY_CLASSIC/
NOTE: Check MPI and basic libraries

3. Download and untar in a common location, for instance /usr/local/ 4. Edit /etc/profile.d/apps.sh and add the following lines. Then replicate these changes in the apps.sh file of every node.

File: /etc/profile.d/apps.sh
...
#DL Poly Classic
export PATH=$PATH:/usr/local/dl_class_1.9
...

5. Test using the test exercises found in the same location of the sources.

NOTE: The Java GUI can't be installed. It should be installed in the client machine and the proyect files uploaded