| ## Tutorial Hands on: run a Gaussian16 computational experiment in the Django portal |
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| 1. Log into <a href="https://testdrive.airavata.org/" target="_blank">TestDrive Portal</a> |
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| 2. First, you'll need a user account. <a href="https://testdrive.airavata.org/auth/login" target="_blank">Create an account</a> using your existing institutional login through CILogon. |
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| 3. After you've logged in, an administrator can grant you access to run the Gaussian16 application. |
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| 4. During the tutorial we'll grant you access right away and let you know. |
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| 5. When you log in for the first time you will see a list of applications that are available in this science gateway. Applications that you are not able to run are greyed out but the other ones you can run. |
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| 6. Once you are granted access, refresh the page and you should now see that you the Gaussian16 application is not greyed out. |
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| #####Submit a Test Job |
| 1. From the dashboard, click on the Gaussian16 application. The page title is "Create a New Experiment". |
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| 2. Here you can change the Experiment Name, add a description or select a different project if you have multiple projects. |
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| 3. We'll focus on the Application Inputs for this hands-on. The Gaussian16 application requires one input, an Input-File. |
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| 4. The following is a preconfigured Gaussian input file. Download this to your local computer and then click the Browse button to upload the file: |
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| [npentane12diol.inp](../img/npentane12diol.inp) |
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| 5. You can click on the file to take a quick look at the file in a popup window. |
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| 6. Now we'll select what account to charge and where to run this job. The Allocation field should already have Default selected. Under Compute Resource make sure you select Expanse. |
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| 7. Then click Save and Launch. |
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| 8. You should then be taken to the "Experiment Summary" page which will update as the job progresses. |
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| 9. When the job finishes you'll be able to download the .log file which is the primary output file of the gaussian application. |
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| 10. We'll come back to this experiment later in the tutorial. |
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| #####More Details On... |
| 1. <a href="/user-documentation/account-creation" target="_blank">Portal Account Creation</a> |
| 2. <a href="/user-documentation/create-experiment-launch-job" target="_blank">Submit Job</a> |
