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huangj3 created page: ab initio molecular dynamics benchmarking
authored
Dec 09, 2016
by
Doak, Peter W.
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@@ -39,6 +39,13 @@ Use them by adding:
#PBS -l qos=condo
```
## Sample PBS Scripts ##
There are examples for most of the installed codes in the repo.
```
shell
cd
your-code-dir
git clone git@code.ornl.gov:CNMS/CNMS_Computing_Resources.git
```
## CODES ##
Instructions for codes:
Please read these, you can waste a great deal of resources if you do not understand how to run even familiar codes optimally in this hardware environment.
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