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Application Documentation

Application Materials Studio
Versions 2.2
Vendor/Developers Accelrys MSI main page
Package type Scientific Application
SoftEnv keys and macros +msi
Known Problems The license manager for MSI is located on a CMT system. In order to run the software, your code must be able to reach the license server. If there are network glitches, your code will fail.
Documentation There are two MSI density functional theory (DFT) quantum mechanical code packages installed:
  • DMOL3 - Gas phase, solvent, and solid state simulations
  • CASTEP - Solids, interfaces, and surface properties simulations
General notes:

To get started with MSI, add the following softenv key to your .soft file:

msi

Place it after the @default line in the file and do a 'resoft' before submitting your job to PBS.

At this time, there is no vendor documentation available.

Last Updated: 5/21/2003

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