Author Topic: Multi-core support serial license  (Read 2951 times)

0 Members and 1 Guest are viewing this topic.

Offline ams_nanolab

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 389
  • Country: in
  • Reputation: 11
    • View Profile
Multi-core support serial license
« on: July 24, 2016, 09:43 »
If I have a serial license for ATK and try to run on a system with multi-core (say Intel i7) processor, will the serial job be threaded into parallel processes? Or do I must have parallel license?

Offline Umberto Martinez

  • Supreme QuantumATK Wizard
  • *****
  • Posts: 479
  • Country: dk
  • Reputation: 26
    • View Profile
Re: Multi-core support serial license
« Reply #1 on: July 25, 2016, 10:29 »
Yes, with your license you can do threading over all the cores of your machine http://docs.quantumwise.com/tutorials/job_manager_local.html#threading
This is particularly relevant for classical calculations (ATKClassical).

To run efficient parallel ATK-DFT jobs you need a parallel version of your license to be able to run over several  MPI processes.
You can contact us privately if you would like more info on how to upgrade your license.