ashutoshvt / nbody_driver Goto Github PK

Please push a job submission script for newriver/blueridge.

Lets push all the equations and references relevant to the n-body project, maybe
as a latex document.

Lets document each of the functions in the n_body.py script in
preferably numpy format.

We know that taylor did implement bsse correction schemes in n_body.py script. I was wondering
if you @bgpeyton can run some calculations to see some results if any.

These are the steps we need to follow for generating the input files.

1. export PSIDATADIR=/groups/crawdad_lab/mactay/blueridge/installed/psi4/share/psi/
2. /groups/crawdad_lab/mactay/blueridge/installed/psi4/bin/psi4 input.dat The input file is the same file we have in the repo. This is generating all the input files, but I am getting some errors which I will try to fix.
3. A job submit script which updates the status of the database. ex. db['jobs_complete']
   Once all the jobs have run, we can start cooking the data.

I am going to keep you updated on this thread as I make some progress.