NWChem input


NWChem input file format

The input file for NWChem determines the module that will be executed. For the nwARGOS module this file should be named project_id. To run a molecular dynamics job using nwARGOS, this file only the memory card, start and task card are required.


An example of the input for NWChem is

title; nwARGOS
memory noverify heap 1 mb stack 32 mb global 8 mb
start nwarg
task nwargos