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howto:dlpoly [2016/03/30 11:58]
kgovender
howto:dlpoly [2018/06/28 14:09] (current)
alopis
Line 3: Line 3:
 These include DLPOLY 1.9 (also known as DLPOLY classic), DLPOLY 4.07 and DLPOLY 4.08. These include DLPOLY 1.9 (also known as DLPOLY classic), DLPOLY 4.07 and DLPOLY 4.08.
 As such there are different scripts available on the login node for PBS job creation and submission. As such there are different scripts available on the login node for PBS job creation and submission.
-To run any or these scripts execute **qdlpoly_1.9**,​ **qdlpoly_4.07** or **qdlpoly_4.08** in the directory that has your input files for your job.+To run any or these scripts execute **qdlpoly_1.9**, **qdlpoly_2.20**,​ **qdlpoly_3.09**, **qdlpoly_4.07** or **qdlpoly_4.08** in the directory that has your input files for your job.
 Please ensure CONFIG, CONTROL and FIELD files are located in submission directory or no PBS will be generated. Please ensure CONFIG, CONTROL and FIELD files are located in submission directory or no PBS will be generated.
 Examples of input required for these scripts are provided below. Examples of input required for these scripts are provided below.
/var/www/wiki/data/pages/howto/dlpoly.txt · Last modified: 2018/06/28 14:09 by alopis