Difference between revisions of "DL Poly Classic Installation"
From Supercomputación y Cálculo Científico UIS
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| − | + | == DL Poly Classic Installation == | |
| − | + | ''' DL Poly Classic 1.9 on Debian 7.0 ''' | |
| − | + | === Installation === | |
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1. First you need to check if Tcsh is intalled | 1. First you need to check if Tcsh is intalled | ||
{{Command|<nowiki>aptitude install tcsh</nowiki>}} | {{Command|<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/ | |
{{Note|<nowiki>Check MPI and basic libraries</nowiki>}} | {{Note|<nowiki>Check MPI and basic libraries</nowiki>}} | ||
3. Download and untar in a common location, for instance /usr/local/ | 3. Download and untar in a common location, for instance /usr/local/ | ||
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4. Edit /etc/profile.d/apps.sh and add the following lines. Then replicate these changes in the apps.sh file of every node. | 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|<pre><nowiki> | {{File|/etc/profile.d/apps.sh|<pre><nowiki> | ||
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export PATH=$PATH:/usr/local/dl_class_1.9 | export PATH=$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. |
| − | 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> }} | {{Note|<nowiki>The Java GUI can't be installed. It should be installed in the client machine and the proyect files uploaded</nowiki> }} | ||
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Latest revision as of 20:17, 27 June 2016
Back to DLPoly
DL Poly Classic Installation
DL Poly Classic 1.9 on Debian 7.0
Installation
1. First you need to check if 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
