Office Hours:
Monday - Friday
8 a.m. - 5 p.m.

Help:
701-231-5184
701-231-5190
CHPC Support
www.ndsu.edu/chpc

NDSU memberships:
The Coalition for Academic Scientific Computation. (CASC)

Accelrys Materials Studio

Accelrys Material Studio Modeling is flexible client/server software on materials simulation and modeling. It allows the user to easily create and study models of molecular structures, exploiting stunning graphics capabilities to present the results. It combines quantum mechanics, molecular mechanics, mesoscale modeling, analytical instrument simulation, and statistical correlations in to one easy-to-use modeling environment. These techniques are supported by unrivalled structure-building and visualization capabilities and tools to analyze and present scientific data.

Apply Material Studio account

Accelrys Material Studio has special license agreement and CHPC requires user to submit separate application for Material Studio account. If the user does not apply the Material account when he applied the CHPC account, apply the Material Studio account here.

Install Material Studio client

Material Studio implements client/server architecture. The Material Studio client runs on user ’s Windows PC. User could create the model on the client and submit the constructions, calculations on CHPC Linux machines.

• In the next window, click install button to begin the installation
• The Material Studio CD is required during installation process. Please contact CHPC for installation CD
• Place the Material Studio CD in you CD drive. A menu will appear on the screen and select “Install MS Modeling”. If the menu does not appear, browse the CD and run the autorun.exe
• The welcome page of installation wizard for Material Studio Modeling will show up, click next button
• In the installation type window choose custom installation

  In the custom setup window, click on the dropdown arrow of “Clients” and select “This feature, and all subfeatures, will be installed on local hard drive”. Figure 6 shows the custom setup window.

• In the next window, click install button to begin the installation
• After the installation, make sure the “Launch License Administrator” button is checked
• When the License Administrator shows up, select the “connections” tab
• In the host box enter “hurd.ndsu.nodak.edu”
• In the port box enter “38518”, then click Add
• Close the window and Material Studio is ready for use

Setup sever gateway

Before using Material Studio on CHPC, user needs to setup the server gateway. Please follow these steps,

• In the Window programs, there is an “Accelrys MS Modeling 3.1” menu, click “ Server Manager”
• In the left panel, right click on “server Gateways”, select “New Server Gateway”
• In the popup “New Server Gateway” window, add “server1.chpc.ndsu.nodak.edu ” in the URL box and keep 18888 as the default port.
• Click OK button to add new server gateway
• Open the server gateway tree and right click “server1.chpc.ndsu.nodak.edu”, select “Test Gateway”
• In the popup “Test Server Gateway” window, click “Begin Test”. User needs to provide email username and password.
• After the test is successfully executed, user could start Material Studio client program.

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