| ## Admin Dashboard Configurations |
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| This page is dedicated to Gateway Admins! |
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| ### Prior to starting your configurations |
| 1. You have admin access to the PGA portal, Admin Dashboard |
| - How to check? |
| - Log in to the gateway portal |
| - You would land on Admin Dashboard with "Let's Get Started!" |
| - Click 'Browse Application Modules' |
| - Do you see button 'Create new Application Interface' ? Then you are good. |
| 2. Storage resource ID added to the pga_config.php </br> |
| - If not go to |
| - Admin Dashboard --> Storage Resources --> Browse |
| - Locate your resource and copy the ID |
| - Paste it in pga_config.php file in pga/app/config directory. |
| 3. Credentials generated, assigned and added to authorized_keys files of resources |
| - To generate key refer <a href=/Gateway-Configurations/#Credentials> Credential Store</a> |
| - Token Assignment <a href=/Gateway-Configurations/#Preference> Gateway Management</a> |
| - Copy the public key for the assigned token frm credential store and add it to authorized_keys file in both compute and storage resources. |
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| NOTE: If you are using a hosted gateway the 2 and 4 would be taken cared by the SciGaP team. |
| |
| ### Select Your Quick Start Tutorial |
| 1. <a href="#LocalJob">Running Echo on Local Machine</a></br> |
| 2. <a href="#GaussianJob">Gaussian Job Submission to Comet (XSEDE resource)</a></br> |
| 3. <a href="#PrePostCommands">Add Pre and Post Job Commands for an Application</a></br> |
| 4. <a href="#SampleApp">Add Environment Variables for an Application Deployment</a></br> |
| 5. <a href= "#Resources">Know your Compute & Storage Resources</a></br> |
| 6. <a href= "#Preference">Gateway Preference Management</a></br> |
| 7. <a href= "#GtwyAccess">Managing User Accounts</a></br> |
| 8. <a href= "#Notices">Communication with Gateway Users</a></br> |
| 9. <a href= "#Traffic">Monitor Gateway Traffic</a></br> |
| 10. <a href= "#Secure">Using Credential Store</a></br> |
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| #####<h5 id="LocalJob">Running Echo on Local Machine</h5> |
| Quickest way to confirm Airavata and PGA setup. This will tell you what you need to do to Echo a simple 'Hello World' in your local machine |
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| 1. Create new application module: Echo |
| - Navigate to Admin Dashboard → App Catalog → Apllication Module |
| - Click Create a new Application Module |
| - Enter Application Module Name: Echo |
| - Enter Application Module Version: Echo 1.0 (Not mandatory) |
| - Enter Description: Echo application for testing |
| - Create |
| - This create the Echo module </br> |
|  </br></br> |
| 2. Create the application interface: Echo |
| - Navigate to Admin Dashboard → App Catalog → Application Interface |
| - Click 'Create new Application Interface' |
| - Add Application Name: Echo |
| - Add Application Description: Echo Interface for testing |
| - Select Application Module: Echo |
| - Set 'Enable Archiving Working Directory' to False (Why? - This is set to true if you want to bring back all the files in working directory back to PGA) |
| - Set 'Enable Optional File Inputs' to False (Why? - Set to false because there won't be any additional optional inputs for Echo) |
| - Provide application inputs |
| - Click Add Application Input |
| - Name: Input-to-Echo |
| - Value: Echo Test 1......2......3....... (This value can be overridden at experiment creation) |
| - Type: STRING |
| - Application Arguments: |
| - Standard Input: False (Why? - Futuristic property and not in real use at the moment) |
| - User Friendly Description: Enter STRING input for Echo (Not mandatory) |
| - Input Order: 1 |
| - Data is Staged: True |
| - Is the Input Required: True |
| - Required in Commandline: True |
| - Meta Data: |
| - Provide application outputs |
| NOTE: 3 application outputs to define.</br> |
| - 1st output |
| - Click Add Application Output |
| - Name: Echo-Standard-Out |
| - Value: |
| - Type: STDOUT |
| - Application Argument: |
| - Data Movement: False |
| - Is the Output required?: True |
| - Required on command line?: True |
| - Location: |
| - Search Query:</br> |
| - 2nd output |
| - Click Add Application Output |
| - Name: Echo-Standard-Error |
| - Value: |
| - Type: STDERR |
| - Application Argument: |
| - Data Movement: False |
| - Is the Output required?: True |
| - Required on command line?: True |
| - Location: |
| - Search Query:</br> |
|   </br></br> |
| 3. Create the application deployment: Echo on Local Machine |
| - Navigate to Admin Dashboard → App Catalog → Application Deployment |
| - Click 'Create new Application Deployment' |
| - Application Module: Echo |
| - Application Compute Host: Local (Local machine has to be added as a compute resource prior to this step) |
| - Application Executable Path: /home/airavata/ECHO/echo_wrapper.sh (Local to where you have airavata installed) |
| - Application Parallelism Type: SERIAL </br> |
|  |
| 4. Echo_wrapper.sh contains; |
| <pre><code> |
| #!/bin/bash |
| #sleep 10 |
| echo "Echoed_Output=$*" |
| </code></pre> |
| |
| #####<h5 id="GaussianJob">Gaussian Job Submission to Comet (XSEDE resource)</h5> |
| This is a tutorial to configuring and running an application on XSEDE resource through PGA portal. |
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| 1. Create new application module: Gaussian |
| - Navigate to Admin Dashboard → App Catalog → Apllication Module |
| - Click Create a new Application Module |
| - Enter Application Module Name: Gaussian |
| - Enter Application Module Version: Gaussian 09 (Not mandatory) |
| - Enter Description: Gaussian provides capabilities for electronic structure modeling |
| - Create |
| - This create the Gaussian module </br> |
| 2. Create the application interface: Gaussian |
| - Navigate to Admin Dashboard → App Catalog → Application Interface |
| - Click 'Create new Application Interface' |
| - Add Application Name: Gaussian |
| - Add Application Description: Gaussian provides capabilities for electronic structure modeling |
| - Select Application Module: Gaussian ( If multiple modules are using same interface here you can add multiple modules. Ex: Gaussian 03 and Gaussian 09 modules) |
| - Set 'Enable Archiving Working Directory' to True (Why? - This is set to true when you want to bring back all the files in working directory back to PGA. Caution: If there are very large files they may not be able to SCP) |
| - Set 'Enable Optional File Inputs' to False (Why? - Set to false because there won't be any additional optional inputs for Gaussian) |
| - Provide application inputs |
| - Click Add Application Input |
| - Name: Input-File |
| - Value: |
| - Type: URI (Why - This is the type for file uploads) |
| - Application Arguments: |
| - Standard Input: False (Why? - Futuristic property and not in real use at the moment) |
| - User Friendly Description: Gaussian input file specifying desired calculation type, model chemistry, molecular system and other parameters. (This is information to the user at creating job experiment. Not mandatory) |
| - Input Order: 1 |
| - Data is Staged: False |
| - Is the Input Required: True |
| - Required in Commandline: True |
| - Meta Data: |
| - Provide application outputs</br> |
| NOTE: 3 application outputs to define. </br> |
| - 1st Output |
| - Click Add Application Output |
| - Name: Gaussian-Application-Output |
| - Value: Gaussian.log |
| - Type: URI |
| - Application Argument: |
| - Data Movement: True |
| - Is the Output required?: True |
| - Required on command line?: True |
| - Location: |
| - Search Query:</br> |
| - 2nd output |
| - Click Add Application Output |
| - Name: Gaussian-Standard-Out |
| - Value: |
| - Type: STDOUT |
| - Application Argument: |
| - Data Movement: False |
| - Is the Output required?: True |
| - Required on command line?: True |
| - Location: |
| - Search Query:</br> |
| - 3rd output |
| - Click Add Application Output |
| - Name: Gaussian-Standard-Error |
| - Value: |
| - Type: STDERR |
| - Application Argument: |
| - Data Movement: False |
| - Is the Output required?: True |
| - Required on command line?: True |
| - Location: |
| - Search Query:</br> |
|    </br></br> |
| 3. Create the application deployment: Gaussian on Comet |
| - Navigate to Admin Dashboard → App Catalog → Application Deployment |
| - Click 'Create new Application Deployment' |
| - Application Module: Gaussian |
| - Application Compute Host: comet.sdsc.edu (Your comet specific gateway preferences need to be added in 'Gateway Management' prior to this) |
| - Application Executable Path: g09 |
| - Application Parallelism Type: SERIAL |
| - Application Deployment Description: Gaussian provides capabilities for electronic structure modeling. |
| - Module Load Commands: module load gaussian |
| - Post Job Commands: mkdir -p "$PWD"_restart; cp *.chk ${pwd}_restart; mv *.rwf* ${pwd}_restart; (Why? - any command you would want to execute after post job execution)</br> |
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| ##### <h5 id="PrePostCommands">Add Pre and Post Job Commands for an Application</h5> |
| This tutorial demonstrates use of pre and post job commands and how they appear in job submission script |
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| 1. |
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| Work-in-Progress |
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| Refer <a href="/Gateway-Configurations/#AppCatalog" target="_blank">Application Configuration</a> for more generic details. |
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