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Short Description: Maestro is an interface for Schroedinger software.
Category: Computational Chemistry
Version: 8.0.110 Version Date: 2007
Technical support: Please contact firstname.lastname@example.org
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 Website: www.schrodinger.com
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:
If you have problems and see "Warning: X server has no OpenGL GLX extension.", try typing:
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 (email@example.com).
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".