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?