QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: AsifShah on August 2, 2022, 13:16

Title: AKMC License
Post by: AsifShah on August 2, 2022, 13:16
I was running adaptive kinetic monte carlo (AKMC) on 80 cores using the following command:
mpiexec.hydra -n 80 atkpython akmc_test.py > akmc_test.log
however i get this error, though we already have more than 80 licenses of ATK.

License Error: Unable to obtain a required license for the
requested license feature. It could mean there are no valid
licenses left, a problem with the connection to the license
server, or the license file does not contain the requested feature.
See below for more details.

Licensed number of users already reached.
Feature:       qatk_forcefield
License path:  27020@XXXXXXXXX:
FlexNet Licensing error:-4,234



Kindly help resolve it. Also, are there separate licenses required to use AKMC module.


Also, is there a way to add external potential energy contributions in CINEB/NEB calculations? I am interested in observing how the migration barrier is affected by some external potential energy/ applied field? If it is possible how to do it?
Title: Re: AKMC License
Post by: Ulrik G. Vej-Hansen on August 9, 2022, 14:05
Please use SolvnetPlus for license-related issues. As an answer to your general question, no, there is not a specific license required for the AKMC module.

Title: Re: AKMC License
Post by: Anders Blom on August 11, 2022, 00:17
You can monitor the license server while it's running to see how many licenses are in use. Maybe someone else is running a lot of calculations at the same time, or licenses sometimes get stuck for up to 5 minutes if a calculation crashes.