2. Installation Guide

2.1. Software requirements

Winmostar supports the followings operating systems.

  • Windows 10
  • Windows 8
  • Windows 7

In the case of Windows Server, please obtain the FREE edition or trial and use it after verifying the operation.

For macOS and Linux, please use Winmostar after installing Windows OS on virtual machine such as VirtualBox. A version that works natively in these environments will be developed in the future.

If you run the job on a machine other than the terminal where Winmostar is installed ( remote server), setup method introduces the procedure for CentOS. Basically, any OS such as Ubuntu can be used as long as it has the following functions.

  • You can connect to that machine using scp or ssh.
  • Job scheduler supported by Winmostar works.
  • The solvers called from Winmostar can be installed or have already been set up on that machine.

2.2. Hardware requirements

The minimum spec of Winmostar is as follows.

  • CPU and RAM: According to the hardware requirements of Windows 7/8/10
  • HDD: 4 GB or more free space

It can be used with general office work, PC surfing, etc.

The recommended specs conform to the recommended specs of the solver used together because the Winmostar main unit operates on a relatively low-spec PC. If the recommended specifications of the solver are unknown, prepare a CPU machine with a high floating point arithmetic function (number of cores x frequency). Since HDD and memory can be expanded relatively easily later, standard capacity is acceptable.

2.3. Installing Winmostar and solvers

If the installation cannot be performed as expected, check Frequently asked questions · Troubleshooting.

  1. If you don’t have a license code, please check Features and register and get a license at the following link.

  2. Download the Winmostar installer for the latest stable version <https://winmostar.com/en/download#latest_stable>`_ .

    Note

    • Please check the system requirements with Hardware requirements.
    • If you have already obtained the installer from a USB flash drive, DVD, or User Portal, you do not need to do this.
  1. Double-click the installer to launch it; for 64bit Windows, select the type of Winmostar you want to install (64bit or 32bit version).

    Warning

    • If Winmostar is running, close it beforehand.
  2. Specify the destination folder (default is C:\winmos10) and start the installation.

    Warning

    • If multibyte characters such as Japanese and double-byte characters and special symbols are included in the installation folder and the name of the higher hierarchy, some modules may cause problems.
    • If the text and other items are enlarged or reduced in the display settings, the display may be partially disrupted. For more information here.
    • Installation under C:\Program Files is not possible.

    Note

    • After the installation is complete, shortcuts will be created in the Start menu and on the desktop.
    • If you receive a warning of anti-virus software, please ignore it and continue installation (the same below).
    • If the past version of Winmostar has already been installed, it is possible to install it overwritten or change the installation folder to coexist with the past version.
    • To upgrade, check Update or Upgrade.
  1. In the case of a new installation, start Winmostar and set the license code in the dialog that appears at the first boot.

    Note

    • This operation is not necessary if the delivered licensed installer is used.
  1. Follow the procedure to build a Cygwin environment for Winmostar.

  2. Follow the steps below to install the solver on the Windows PC (local machine) where Winmostar is installed. You must also install it if you want to perform calculations only on a remote server.

    Note

    • Gromacs, Amber, MODYLAS, and OpenMX are included in CygwinWM which is installed in the previous step.
    • If you want to use MOPAC6 with extended maximum number of atoms, you can get it from MOPAC6 (not guaranteed).
  3. If necessary, exclude the installation folders of Winmostar, CygwinWM, and solver from the monitoring target in the configuration of the security software you are using.

  1. Change the setting to display the extension of each file on the Explorer. See Q. How do I view the extension in Windows Explorer? for the configuration (not required).
  1. If you want to submit jobs to the remote server and schedule jobs on the remote server, make sure that the supported job scheduler is installed on the server. If you do not have TORQUE, follow the steps in the link below to install TORQUE.

Note

  • If you don’t need to schedule jobs, you don’t need to install a job scheduler on a remote server.
  1. When submitting a job to a remote server, install the solver used in the destination server according to the following procedure.
  • GAMESS installation manual for Linux (only Japanese)
  • NWChem for Linux Installation Manual (only Japanese)
  • Gromacs for Linux Installation Manual (only Japanese)
  • LAMMPS instllation manual for Linux (only Japanese)
  • Quantum ESPRESSO installation manual for Linux (only Japanese)
  • OpenMX installation manual for Linux (only Japanese)
  • DCDFTBMD installation manual for Linux (only Japanese)
  1. Now, you are ready to use Winmostar. Please refer to Tutorials if necessary

2.4. Uninstalling Winmostar

You can uninstall by deleting Winmostar installation folder and shortcut.

2.5. Update

Updates (minor version or revisions) can be performed in the same way as the installation.

Example: V10.0.0 to V10.1.0, V9.4.0 to V9.4.5

  • If you want to keep the old version, you can take over the settings by copying the files under the UserPref folder of the old version to the following in the UserPref folder of the new version.
  • The UserPref folder is located under the Winmostar installation folder.

2.6. Upgrade

Upgrades (major version updates) can be performed in the same way as installations.

Example: V8.000→V9.0.0, V9.0.0→V10.0.0

  • If you are upgrading from V3, V4, V5 or V6, you can take over the configuration by copying the configuration files atoms1.wmx, winmos_server.ini, wm_nmr.ref, and wm_irscale.ref under the installation folder of the old version to the UserPref folder under V10.
  • If you are upgrading from V7, V8 or V9, you can take over the settings by copying wmset.ini, atoms1.wmx, winmos_server.ini, wm_nmr.ref, and wm_irscale.ref under the UserPref folder of the old version to the UserPref folder of V10.
  • The UserPref folder is located under the Winmostar installation folder.
  • For more information, see V10 Migration Guide and V9 Migration Guide.