Changes between Version 5 and Version 6 of cypress/MaterialsStudio


Ignore:
Timestamp:
May 8, 2018 5:23:46 PM (17 months ago)
Author:
hoang
Comment:

Legend:

Unmodified
Added
Removed
Modified
  • cypress/MaterialsStudio

    v5 v6  
    55The complete Materials Studio suite is only available for Windows workstations, but BIOVIA provides Linux versions of its computationally intensive routines, which allows you to make use of Cypress for computationally intensive calculations.  Here, we will show how to set up a calculation on your workstation in order to run on Cypress.
    66
    7 The image below shows the setup for a typical calculation you would perform on your workstation, in this case, a quantum mechanical energy calculation.  You would push the "Run" button to run this on your workstation.  However, suppose this calculation takes a long time, and you would not like to tie up your workstation.  Or you might want to run many such calculations, and the workstation alone is not sufficient to do this in a timely manner.  Instead, we can set up these calculations as jobs to run on Cypress.
     7The image below shows the setup for a typical calculation you would perform on your workstation, in this case, a quantum mechanical energy calculation.  You would push the "Run" button to run this on your workstation.  However, suppose this calculation takes a long time (potentially days), and you would not like to tie up your workstation for that time.  Or you might want to run many such calculations, and the workstation alone is not sufficient to do this in a timely manner.  Instead, we can set up these calculations as jobs to run on Cypress.
    88
    99First, we will create the input files needed.  Instead of "Run", we select "Files", as shown below: