Installation

• documentaion: https://theochemgoettingen.gitlab.io/RuNNer/1.3/
• code: https://gitlab.com/TheochemGoettingen/RuNNer

To use the RuNNer code, you must have permission from the developer.

• contact from here: https://www.uni-goettingen.de/de/560580.html

Clone RuNNer repository.

$ git clone git@gitlab.com:TheochemGoettingen/RuNNer.git

Compile.

• comlilation using CMake: https://theochemgoettingen.gitlab.io/RuNNer/1.3/getting_started/compilation/#compilation-using-cmake

$ cd Runner
$ mkdir build
$ cd build
$ cmake .. -DOPENMP=ON -DINTEL=ON -DDEBUG=OFF
$ make

Run Code

$ mkdir test && cd test
$ cp -r RuNNer/examples .
$ cd example04_Carbon_chain_4G
$ ln -fs <path-to-RuNNer>/build/RuNNer.x
$ cp input_1.nn.charge input.nn
$ ./RuNNer.x | tee mode1_charge.out