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 Materialss Studio

Accelrys Materials 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.

Accessing Materials Studio

Because Accelrys Materials Studio has special license agreement,the CHPC requires users to submit a separate application in order to access the software. If you did not submit the request for Materials Studio when you applied for your CHPC account, you can request access here.

Install Materials Studio client

Materials Studio implements client/server architecture. The Materials 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 Materials Studio CD is required during installation process. Please contact CHPC for installation CD
• Place the Materials 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 Materials 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 Materials Studio is ready for use

Setup sever gateway

Before using Materials 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 Materials Studio client program.

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