How much does a license cost?

If you are interested in purchasing a license for ATK or Virtual NanoLab, the easiest way is to use the contact form to get in touch with us. Please state clearly in your message your affiliation (university, company, institute) and, if possible, what kind of license you are interested in.

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Overview of License options

Virtual NanoLab without ATK

If you work as an academic researcher at a university, high school, or similar (but not including government labs), you can obtain a free, perpetual license for Virtual NanoLab by filling out this form. The free VNL license does not include the VASP functionalities, and for that, you must purchase a license. Prices start from €500.
Read more about Virtual NanoLab without ATK.

Products - DFT vs SE etc.

Atomistix ToolKit is a platform that provides a uniform interface to several different packages. Each of these is an individual product, in the sense that a license must be purchased for each one separately:

  • ATK-DFT: the "traditional" density-functional theory approach to transport and electronic structure calculations
  • ATK-SE: the semi-empirical extended Hückel method, which allows for larger systems and faster calculations (both electronic structure and transport)
  • Virtual NanoLab: the graphical interface. Virtual NanoLab will always be included when purchasing ATK. Virtual NanoLab is however also sold as a product in itself as it can be used for other codes, such as VASP, Castep etc. If you are purely interested in purchasing Virtual NanoLab, the price for academic users is €500 for a perpetual license. Read more about Virtual NanoLab without ATK.

Annual vs. perpetual

A license can be obtained either as

  • Annual: the license will expire on a certain date (normally a year after purchase, although a different period can be discussed) and the software will not be able to run any more unless you prolong the contract.
  • Perpetual: the license will never expire, and the software will be able to run forever. The software can upgraded to the latest version within the active maintenance period.

A perpetual license costs twice as much as an annual, and prolonging the maintenance contract for 12 months costs 50% of the annual license (by the current price list at the time).

Parallelization - masters vs slaves

ATK (both DFT and SE) is parallelized on two levels. First of all, it will thread on multicore processors, using OpenMP. This feature is included without extra charge. Second, a substantial performance benefit can be obtained by running ATK under MPI parallelization on a cluster (for more information, see the Parallel Guide).

To run ATK under MPI requires "slave" licenses, in addition to the "master" license, which is the basic license for each product.

  • Master license: each master license allows one calculation to be executed at the time. So, if you have 2 master licenses, you can run two calculations concurrently.
  • Slave license: each slave license can add one more parallel MPI node to a calculation. So, if you have 2 master licenses and 23 slave licenses, you can run 1 job on up to 24 nodes (the master is one node too), or 2 jobs on up to 12 nodes.

Both master and slave licenses are separated for the different products. Thus you need both an SE master and SE slaves to run a Hückel calculation in parallel.

Counting - users, computers, jobs

Our license model does not care about which users have access to the software. It also does not put any limit on which computers that can run it, or whether you prefer to use Windows or Linux.

The only thing that is counted is the number of processes that can run concurrently. With 2 master licenses, at most 2 calculation jobs can be run at any given time, and with 1 VNL license, one person can use the GUI at the time.

This is all handled by the license server, using a floating license technique. The license file itself is bound to the license server, but any computer that can connect to the license server can check out a license, until all features are checked out.


For license prices, please contact us.

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