| ## 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"><b>TestDrive Portal</a></b> |
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| 2. First, you'll need a user account. <a href="https://testdrive.airavata.org/auth/login" target="_blank"><b>Create an account</a></b> 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. For now use the _Default Project_. |
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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 _**Gaussian16**_ input file. Download this to your local computer and then click the _Browse_ link to upload the file: |
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| <b> [npentane12diol.inp](../img/npentane12diol.inp)</b> |
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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 _Allocation_ to charge and where to run this job. Use _Resource Reservation for Tutorials_ allocation for the job. 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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| Image: Gaussian16 Experiment Creation |
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| #####View & Download Results |
| 1. After job submission to _Expanse_, you will able to see job status, going from SUBMITTED → ACTIVE → COMPLETE |
| 2. Then the experiment status would change to COMPLETED, when all the files are available for you to view and download. |
| NOTE: When you see the experiment status COMPLETED, refresh the page. |
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| Image: Completed Gaussian16 Job Outputs |
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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> |
