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Maestro

General Information

Short Description: Maestro is an interface for Schroedinger software.

Category: Computational Chemistry

Installation Information

Version:   8.0.110    Version Date:  2007

Technical support:  Please contact researchservices@bc.edu

Terms of Use:  

License Information

Number of Licenses:  Unlimited network licenses for use on the Linux Cluster and Chemistry Systems.

Type of License:  Network

Installed Sites: Scorpio Linux Cluster and Chemistry Linux systems.

Installed Platforms: Linux

Vendor/Developer:  Schrodinger,LLC

Vendor Website:  www.schrodinger.com

Usage Information

1.  Maestro is a graphical application, and as such, you need an X11 client on your desktop system to use maestro.  When you ssh to scorpio.bc.edu, use:

    ssh -Y -l user-name scorpio.bc.edu

2. The display (graphics) will be sent to your desktop system. 

Load the maestro module by typing:

    module add schrodinger

3. Start maestro by typing:

    maestro

If you have problems and see "Warning: X server has no OpenGL GLX extension.", try typing:

    maestro -SGL

4.  You can submit calculations from Maestro directly to the queues. When you run an Application, click the "Start..." button.  The start window will give you a button with the host to use.  Pull down the "localhost(1)" option to one of the LSF options.  The LSF options state the amount of memory and the length of time requested.  If you need other options, let us know (researchservices@bc.edu).

Documentation

 Documentation is available from Schroedinger.  Researchers at Boston College may request a logon account at Schroedinger to get access to Maestro documentation.  Go to www.schrodinger.com, click on "Log On" at the top right, then click on ""Request a Logon Account".