QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Sabyasachi Sen on June 19, 2018, 13:41

Title: error in property calculation like transpath
Post by: Sabyasachi Sen on June 19, 2018, 13:41

I attach herewith a .py file for transpath calculation and error I got while running the job (.log file).
Kind, suggest how to improve.

Similar error is also observed in DoS run.

Title: Re: error in property calculation like transpath
Post by: Petr Khomyakov on June 19, 2018, 15:03

Which version of ATK did you use to get "c6h6-fe-c6h6-fm-new1-013.nc"?

Title: Re: error in property calculation like transpath
Post by: Sabyasachi Sen on June 20, 2018, 06:41

ATK 2013 version is used for that calculation.

Title: Re: error in property calculation like transpath
Post by: Petr Khomyakov on June 20, 2018, 11:04

Please send all that information (including the script, log and nc file, as well as the license information for ATK-2013 and 2017.12 you are using) to quantumatk-support@synopsys.com.