[GitHub] [airavata] DImuthuUpe commented on pull request #276: Fetching intermediate outputs for an running experiment

2022-01-05 Thread GitBox


DImuthuUpe commented on pull request #276:
URL: https://github.com/apache/airavata/pull/276#issuecomment-1005938283


   @machristie good catch. I will update the code. Thanks  for this


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[Airavata] Overriding and removing SLURM script parameters

2022-01-05 Thread DImuthu Upeksha
Hi All,

With the introduction of GPU queues in various clusters, traditional
SLURM scripts need several changes and those changes are not consistent
with each cluster. Because of that, we need to override SLURM script
parameters depending on the cluster configuration. This PR [1] provides the
flexibility for users to either override existing SLURM parameters or
remove them from the scripts. For example, GPU queues on Expanse do not
accept scripts with #SBATCH -n parameter and you can remove it by adding a
pre-job command RM #SBATCH -n.

I have rebased and merged this as it was extensively tested on
Ultrascan environment.

[1] https://github.com/apache/airavata/pull/277

Thanks
Dimuthu


[GitHub] [airavata] DImuthuUpe merged pull request #277: Bringing ultrascan job script optimization logic to master

2022-01-05 Thread GitBox


DImuthuUpe merged pull request #277:
URL: https://github.com/apache/airavata/pull/277


   


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[GitHub] [airavata] machristie commented on pull request #276: Fetching intermediate outputs for an running experiment

2022-01-05 Thread GitBox


machristie commented on pull request #276:
URL: https://github.com/apache/airavata/pull/276#issuecomment-1005753766


   @DImuthuUpe  I think I've figure it out. Gaussian-Application-Output has 
type URI_COLLECTION (which might be a misconfiguration, but we'll leave that 
aside for now). So when the output objects are saved, AiravataTask is calling 
saveExperimentOutputCollection 
https://github.com/apache/airavata/blob/AIRAVATA-3549/modules/airavata-helix/helix-spectator/src/main/java/org/apache/airavata/helix/impl/task/AiravataTask.java#L306-L329.
 I think this method also needs to be updated like the way saveExperimentOutput 
was updated to save outputs to either the experiment or process.


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[GitHub] [airavata] machristie commented on pull request #276: Fetching intermediate outputs for an running experiment

2022-01-05 Thread GitBox


machristie commented on pull request #276:
URL: https://github.com/apache/airavata/pull/276#issuecomment-1005746880


   Yeah you're right @DImuthuUpe , it should be setting a data product URI.  It 
doesn't seem to be and I can't figure out why. I'm looking at your test run 
yesterday, experiment id 
`Clone_of_Clone_of_Clone_of_Clone_of_Clone_of_Gauss_5052a8ec-0b1f-4829-ae33-af81f35e1d32`.
 It has two processes the job submission one 
`PROCESS_59024a0d-4066-41b5-953a-caa2c8a59fc9` and the intermediate output 
fetching one `PROCESS_7ff674cb-d9ba-4805-be06-4bf6f5dfbef6`. In the latter, 
there is just the one process output, for `Gaussian-Application-Output` and 
it's value is `*.log`.  
   
   ```
   ...
   "processOutputs": [
   {
   "name": "Gaussian-Application-Output",
   "value": "*.log",
   "type": 4,
   "applicationArgument": "",
   "isRequired": false,
   "requiredToAddedToCommandLine": false,
   "dataMovement": true,
   "location": null,
   "searchQuery": null,
   "outputStreaming": false,
   "storageResourceId": null,
   "metaData": null
   }
   ],
   ...
   ```
   For reference, I'm seeing this through the django.seagrid.org REST API: 
https://django.seagrid.org/api/experiments/Clone_of_Clone_of_Clone_of_Clone_of_Clone_of_Gauss_5052a8ec-0b1f-4829-ae33-af81f35e1d32/


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