How to Install (Windows)

Preparation

Installation of this software requires three separate installers. Please download each installer from the links below.

  • Main Program

  • Open Source Calculation Engines, etc.

  • Additional GNN force field model files (Required only if using FAIR-Chem or SevenNet)

Note

Ensure that you install NanoLabo Tool on the same machine where NanoLabo is installed, even if you intend to run calculations on a remote machine.

The Java Runtime Environment is bundled with the installer. It will be copied to the designated installation folder during installation process.

Installation

First, execute the Advance/NanoLabo installer. If a language selection window appears, choose a language for the installation process (this choice does not affect the software’s language setting).

Proceed by following the on-screen instructions to configure the installation.

  • When asked “Install Sentinel-LDK-RTE?”, select No if you are using this machine as a client with a floating license.

    If the license server is on a different network segment, please enter its IP address or hostname on the next screen. Even if not specified here, it is possible to configure the license server IP address or hostname later. For details, see Floating license.

    ../_images/install_license_server.en.png

Once the configuration is complete, a summary window will appear. The Install Folder will be required when installing the Advance/NanoLabo Tool. Please make a note of the install folder.

../_images/install_summary.en.png

At the final window, click “Done” to complete the installation of Advance/NanoLabo.

Next, run the Advance/NanoLabo Tool installer.

Follow the on-screen instructions to configure the installation. Ensure you select the same location for the installation destination as you did for Advance/NanoLabo.

../_images/install_tool.en.png

At the final window, click “Done” to finish the installation of the Advance/NanoLabo Tool.

If using FAIR-Chem or SevenNet, please install Advance/NanoLabo GNNP similarly.

Launching

If you created a shortcut during installation, you can launch the software using that shortcut.

To launch the software directly, navigate to the bin folder in the installation directory and execute NanoLabo.exe .

On initial launch, a license dialog will appear. Please follow the procedure here to set up the license.

Additional Settings

  • Materials Finder API Settings

    Configuration of an API key is required to obtain crystal structures from the Materials Project. For the configuration method, please see here.

  • Configuration for graph neural network universal force field

    To use graph neural network universal force fields in LAMMPS calculations, additional setup in a Python environment is required. For the configuration method, please see here.

  • Configuration for versatile tight-binding method (ThreeBodyTB)

    To utilize the versatile tight-binding method (ThreeBodyTB) calculations, additional settings in the Julia environment are necessary. Please refer here for the detailed setup instructions.

  • Setting up for remote calculation

    To submit calculation jobs from NanoLabo to a remote machine, you’ll need to establish an SSH connection. Please refer here for the detailed setup instructions.

Update/Upgrade

  • When upgrading from the trial version to the full version, a new installation is not required. Please update only the license, referring to License Update.

  • When updating to a newer version, you can install directly over the existing version.

  • When updating to a new major version of NanoLabo, a license update is required. Please update the license, referring to License Update.

  • If a newer version of NanoLabo Tool is available along with NanoLabo, it is recommended to update both. NanoLabo is designed to be used in conjunction with the calculation engines provided in the latest version of NanoLabo Tool.

  • Your software configurations and any projects you have created are stored separately from the installation directory. This ensures that you can continue using the software seamlessly, even after the update.

Uninstallation

Use one of the following procedures to run the uninstaller.

  • Right click the Start button and select “Apps and Features”. Find and click Advance/NanoLabo Tool from the list. Click Uninstall button.

  • From the Start menu, navigate to “Windows System” and select “Control Panel”. Access “Uninstall a program” (or select “Programs and Features” if in icons view) and double click on Advance/NanoLabo Tool in the list.

  • Locate the _NanoLabo_Tool_installation folder in your installation directory. Execute Change NanoLabo Tool Installation.exe .

Follow the on-screen instructions to proceed with the uninstallation.

After uninstalling Advance/NanoLabo Tool, similarly uninstall Advance/NanoLabo GNNP and Advance/NanoLabo.

Note

During uninstallation, installation log files may remain. Also, if you were using an old license, the license files will not be deleted. In such cases, please delete these files manually.

Note

Configuration and projects created by this software are saved in a location separate from the installation directory ( C:\Users\username\.nanolabo ) . These files are not deleted during the uninstallation process. If you wish to remove them, you will need to do so manually.

In some case, Java VM setting is stored in C:\Users\username\AppData\Local\VirtualStore .

Note

Sentinel-LDK-RTE is installed under the name “Thales Sentinel LDK Run-time Environment”. To uninstall it later, please uninstall the component with this name.

Troubleshooting

  • If an error occurs when you try to uninstall for a version upgrade, you can resolve the issue by either performing an overwrite installation without uninstalling, or by deleting the installation folder and then installing.

  • When trying to launch the uninstaller on Windows 11, errors like “This Application has Unexpectedly Quit” or “Flexeraayd$aaa: Windows DLL failed to load” may be displayed.

This can be avoided by setting the environment variable JAVA_TOOL_OPTIONS="-Dos.name=Windows 10". To apply this only to the uninstaller, for example, create a batch file like the following and run it with administrator privileges.

set JAVA_TOOL_OPTIONS="-Dos.name=Windows 10"
"C:\Program Files\AdvanceSoft\NanoLabo\_NanoLabo_Tool_installation\Change NanoLabo Tool Installation.exe"

  • When attempting to launch the NanoLabo Tool uninstaller, you may encounter an error stating, ‘Could not find a valid Java virtual machine on this system to load.’ While installing the Java Runtime Environment allows it to run, you can also bypass this issue with the following steps:

  1. Open _NanoLabo_installation\Change NanoLabo Installation.lax located in the installation directory and copy the line starting with lax.nl.current.vm .

  2. Open _NanoLabo_Tool_installation\Change NanoLabo Tool Installation.lax and locate the line starting with lax.nl.current.vm . Overwrite the content with the copied line.

  • Writing to Program Files is restricted, so either use a text editor executed with administrator privileges or temporarily move the file to another folder, edit it there, and then move it back to its original location.

  • Due to factors such as the uninstallation sequence, the Java runtime environment (JRE) in the installation folder might be removed, and as a result, other uninstallers may fail to launch.

Download the zip version of the Java Runtime Environment, extract it, rename the resulting folder to jre , and place it in the installation folder. This will allow other uninstallers to launch.