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GregDMeyer / dynamite

Fast quantum evolution and eigensolving using Krylov subspace methods via the PETSc/SLEPc libraries.
MIT License
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Readthedocs main page shows the wrong docker command #31

Closed erinaldi closed 11 months ago

erinaldi commented 11 months ago

Hello,

I would like to make sure that I am not doing anything wrong when running the tutorials in the docker container image of dynamite.

The main page https://dynamite.readthedocs.io/en/latest/ of the dynamite documentations shows a docker command:

docker run --rm -p 8887:8887 -w /home/dnm/examples/tutorial gdmeyer/dynamite:latest

which does not work as expected. In fact it does not have jupyter installed and I suspect the command should be changed to

docker run --rm -p 8887:8887 -w /home/dnm/examples/tutorial gdmeyer/dynamite:latest-jupyter

I also have a related question about running a MPI jobs with dynamite using the docker container but without singularity or shifter. Is that actually possible?

GregDMeyer commented 11 months ago

Fixed by ad6ec95. Thanks for the heads up, that was an embarrassing mistake!

I also have a related question about running a MPI jobs with dynamite using the docker container but without singularity or shifter. Is that actually possible?

You should be able to do so simply by executing mpirun inside of the container. See the second "note" in the quick usage guide for containers here.