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Running ADF from AMS-GUI

Info

The purpose of this document is to give more detailed background information on how the GUI operates. It will not explain how to use it in detail. For that reason, we strongly suggest that before reading this document, you first check the AMS GUI tutorials.

Important

The AMS GUI is only available in Hyperion. Make sure you realize the ssh connection with the "-X" option to enable X11 forwarding.

To load theAMS GUI version you may load the following hidden module:

module load AMS-IKUR/.2024.102-GUI

Sending jobs to Slurm queue

The 'amsjobs' binary, opens a graphical interface that allows you to manage your AMS jobs. It will generate a list of jobs for you by scanning the local directory. All files that have the same file name, with only a different extension, will be considered to be one job.

The .run file contains the basic commands and input to run your calculation. It is intentionally kept as simple as possible.

To run your calculation, use the Run command from the Job menu. This will tell AMSjobs to run your job. AMSjobs will create the real job script (with .job extension). This is a the .run script as saved by AMSinput, with the administrative things included at the front and at the end.

Select slurm queue

In the "Queue" menu you see a list of queues. Select one of them to use that queue when running the selected jobs.

We have configured 4 slurm queues corresponding to the already present slurm queues in Hyperion: test, regular, long, and xlong.

By default each queue will request 24 cores and 24GB of memory. Take into account that to request a a parallel job you may add/modify your ".run" file changing the NCORES to fit you system:

"$AMSBIN/ams" -n NCORES << eor

To request a multinode job you may change the field to the number of nodes you want to use. See the following image:

Requesting multinode Multinode

Modify slurm queue

The configuration of these queues are stored in a folder under your /home/<user>/.scm_gui directory, and can be modified to fit your necesities.

To do so, you can edit them in the menu Queues >> Edit, as youi can see in the image:

Openning queue options edit

You will see the following window:

Editing queue queue

You can change the Slurm submission flags in the "Run command" field. Here you can add the same flags you can add to a regular slurm job. The most common slurm flags to add/change would we the following:

  • --ntasks-per-node=
  • --mem=

We do not recomend to change the rest of the fields since slurm could stop working.

Info

Modifying these parameters is the user's responsibility. If you need help to modify or reset them, please contact technical support.