SeisSol / Training

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Switch base container to the SCOPED one #32

Closed wangyinz closed 1 year ago

wangyinz commented 1 year ago

I have changed the base container to the SCOPE base container, which has jupyterlab and Intel MPI built in. This version of container should be able to run locally as well as on hpc systems of any mpich variant of MPIs available (at least true for TACC's system).

I have tested a little bit and it seems working fine, but my test is not thorough, so please give it a try using the build available from docker hub here, or use the following command.

docker pull wangyinz/seissoltraining:test

One issue that I discovered while building this is that the Intel MPI does not support Fortran 2008 when using with gfortran. The details are in this issue, https://github.com/SeisSCOPED/container-base/issues/5. However, it seems the fortran binding of HDF5 is not required, so I simply disabled that here.

Also, because the base container has python 3.10, the original fixed version numbers in requirements.txt does not work anymore. I switched that to using conda, and it seems doing OK.

Thomas-Ulrich commented 1 year ago

Testing on my laptop, neither pumgen nor seissol works.

image image

Now, can you give instructions on how to run it on frontera? What I tried:

You will require a password to access your desktops.

Password: Password must be at least 6 characters - try again Password: Verify: Would you like to enter a view-only password (y/n)? n A view-only password is not used

New 'c207-005.frontera.tacc.utexas.edu:1 (ulrich)' desktop is c207-005.frontera.tacc.utexas.edu:1

Creating default startup script /home1/09160/ulrich/.vnc/xstartup Creating default config /home1/09160/ulrich/.vnc/config Starting applications specified in /home1/09160/ulrich/.vnc/xstartup Log file is /home1/09160/ulrich/.vnc/c207-005.frontera.tacc.utexas.edu:1.log



- connect with vncviewer
![image](https://user-images.githubusercontent.com/13536910/236235773-93e31e79-c9cb-4d09-a177-bb3ca5e7b62e.png)

(Then I get an error).
wangyinz commented 1 year ago

Weird. The same command runs fine on my laptop: image I cannot find the msh file so was not able to test the pumgen command.

wangyinz commented 1 year ago

Had a call with Thomas on Slack, and we have both issues addressed.

Thomas-Ulrich commented 1 year ago

I've opened a PR to your PR: https://github.com/wangyinz/SeisSolTraining/pull/1

sebwolf-de commented 1 year ago

Thanks @wangyinz for your contributions. Most things look good. I took your work and continued working on that for two reasons:

  1. External contributors can't push to our Dockerhub in the action.
  2. I've updated the dependencies
  3. I'll try to add write access for Frontera.
Thomas-Ulrich commented 1 year ago

continued by #33