QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: renren123123 on September 24, 2009, 15:23

Title: HOW TO SAVE THE DATA in 2009.06
Post by: renren123123 on September 24, 2009, 15:23

Recently, someone has installed the ase-2009.06, and has a basical problem: how to save calculated data like as in atk-2008.10: atk a.py > a.log &
thank you very much!

Title: Re: HOW TO SAVE THE DATA in 2009.06
Post by: kstokbro on September 26, 2009, 08:59

You can still redirect output like,
nlpython system.py > system.out &
It also has the nlsave command to store data in a netcdf file

If you use the GUI, it will write scripts that include nlsave statements of the calculated quantities.
The default filename of the result file is analysis.nc

The content of the analysis.nc file can be inspected from the GUI

Title: Re: HOW TO SAVE THE DATA in 2009.06
Post by: renren123123 on September 27, 2009, 03:58

Thank you for your advice!
I know why I initially didnot run "nlpython a.py > a.log &"
I dont install the software well!