Installation

Table of Contents

Introduction

This chapter describes how to install and start Atomistix ToolKit 13.8.

The next chapter contains information about how to manage license files and license servers.

It is recommended to uninstall previous versions of ATK before installing a new version. This is mainly to avoid confusion; two versions can be installed alongside each other without problems, but you will have to take care which version you run.

If you experience any problems during the installation, see the troubleshooting section for links to useful resources.

Installing Atomistix ToolKit

ATK is distributed as a binary installer on both Windows and Linux.

  1. Download the installer for your platform (Windows/Linux, 32- or 64-bit).

  2. Double-click the downloaded file, or run it from the command line (on Linux, run it as ./atk-13.8-linux64.bin, or similar for 32-bit, in the directory where you saved the file).

  3. Follow the step-by-step instructions to approve the license agreement and choose the installation directory (click "Next" to move to the next step each time).

  4. After the files are copied, the installer will show you information about the license system.

    As the dialog box says, ATK comes with a built-in 14-day demo license. If you already have a license file, either a trial license (extended demo) or a purchased license (usually in the form of a license server), you should run the license configuration tool after completing the installation.

    [Note] Note

    The 14 days are counted from the first time you run ATK, not from the installation date. It is not possible to extend the demo period by reinstalling the software, however each new major version of ATK has a separate demo period.

  5. From the final page of the installer, you can choose to launch Virtual NanoLab directly, and also open the Installation Guide with a bit more information about the license system.

    If the graphical user interface does not start up normally, please check the sections below, or refer to the troubleshooting section. Note, in particular, that on Linux, you may need to log out and in again for the changes to the environment to take effect.

Launching the program

The installer simplifies the process of launching ATK in several ways:

  • A shortcut is added to the Desktop which you can just double-click to start the graphical user interface, Virtual NanoLab (VNL).

  • On Windows, shortcuts are also placed in the Start Menu under QuantumWise > Atomistix ToolKit 13.8.

  • The binary directories for both the command-line interpreter (atkpython) and Virtual NanoLab (vnl) are added to the system PATH, so that you can issue the commands from anywhere on your system.

To verify that the software has been properly installed, and the license is correctly configured, start VNL e.g. by double-clicking the Desktop icon.

[Note] Note

On Linux, you may need to log out and back in again before the desktop icon will work. Also, before you can start ATK from the command line, after the installation, you need to open a new terminal window, so that the changes to the environment are effectuated.

On Windows, you should allow ATK and VNL to access the network.

[Tip] Tip

You execute a Python script with ATK like this:

atkpython script.py > logfile.log

If, however, you start atkpython without any command line argument, you will enter interactive mode where you can issue commands directly on the command line (like, for instance, in Matlab). Press Ctrl+D to quit.

There is also a shortcut for the interactive ATK terminal in the Start Menu in Windows.

Uninstalling ATK

To uninstall ATK on Linux, run the binary uninstall in the installation directory.

On Windows, ATK can be uninstalled via the Control Panel or by launching the uninstaller from the Start Menu, under QuantumWise > Atomistix ToolKit 13.8 > Utilities.

If you have installed the separate license server package, follow the same procedure for it, unless you plan to install a new version of ATK - in that case just leave the license server running.

Troubleshooting installation problems

If you experience any problems during the installation, first search the User Forum and/or the FAQ to see if a solution is posted there. If not, please contact QuantumWise support.