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There is a current problem with the ci where by default the docker images execute as root. This is not ideal and mpi complains. It would be nice to pursue a solution that runs the docker container as …
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The SSPP config file generator I wrote (makeConfigPP.py) currently does not have the functionality to generate 100s of config files automatically in 100s of different directories. This is pretty vital…
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This issue is meant to be a place to discuss how dashboarding could be accomplished in JupyterLab.
Related work:
https://github.com/jupyter/dashboards
https://github.com/jupyter/notebook/pull/1…
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I recently compiled PeleLM on two different supercomputers, with both gnu and intel on each, and consistently receive `Erroneous arithmetic operation` immediately upon running the simulation. I am jus…
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Training the schnet model with the qm9 dataset using Schnetpack1.0 took only 100 seconds per epoch, but Schnetpack2.0 will take over 300 seconds, I'm pretty sure the training is done on the gpu. So I …
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Currently, when the `ZHEGV` error appears in VASP, Custodian switches `ALGO` to `All`. This is the right approach, but for small systems (e.g. elementals with only 1 or 2 atoms/cell), oftentimes `ZHEG…
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### Proposal
A clear and concise description of the proposal.
### Motivation
Gym is severely lacking numerous `Space` types that are commonly seen in RL, though I'm going to address just one…
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How to use val.py the same way you introduced train.py?
What I mean can that be used for val.py? or just the same way as the official yolov5 after training you use val.py for validation ?
please h…
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Because we cannot use external networks on the supercomputers we use, the supercomputers administrator has installed firedrake using containers.However, we get the following error when running some of…
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## Description
According to UFS code manager Jun's request, we installed the updated versions of following libraries on wcoss2 machines for testing. However, the results are not all successful. Fi…