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Trace: • compilers • compiling_gcc • filesystems • dlpoly
howto:dlpoly

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howto:dlpoly [2018/06/28 14:09]
alopis 		howto:dlpoly [2024/08/12 13:30] (current)
alopis
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 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. 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.
 +
 +**Note**, please first include this **module load** - even better if your add this line to your .bashrc, then the Easy Scripts should be visible and available:
 +
 +  module load chpc/easy_scripts
 +
 +
 Examples of input required for these scripts are provided below. Examples of input required for these scripts are provided below.
  
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