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I'm quoting @felixmusil here to discuss
In many cases the energy of an atomic structure X is assumed to be decomposed into atomic contributions:
E(X)=\sum_{j\in X}\epsilon(X_j),
so the force acti…
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We have discussed the possibility of using node level parallelisation for regions, and core-level parallelisation for loop.
Probably the easiest regional decomposition to start with would be to loo…
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Hi @zklaus ,
Following up the discussion in https://github.com/SciTools/iris/issues/3218#issuecomment-726042470
As I mentioned, in the past I've always found that even if an iris operator suppor…
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Hi Andreas,
I wonder how I can predict the energy and forces for a bunch of structures by a single run of the "nnp-predict" module. I tried that, but it seems it doesn't go through all structures in …
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I am looking after test PA_chian (failing with g-parallelism for X) and I would like to loop over different parallelization schemes but for some reasons I only get the default paralyzation scheme (tha…
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I’m seeing some differences when importing entries on arXiv using the browser extension compared to using the web search within JabRef itself. Using the following URL for example: https://arxiv.org/ab…
Socob updated
4 years ago
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I've been comparing emcee and kombine on a cluster using MPI to distribute the sampling and have been running into some issues with kombine that don't happen with emcee (_purely related to paralleliza…
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**Describe the bug**
For larger number (depends on the size of the mesh, in my exampe for n>=4) of nodes SeisSol stops when initializing the Fault Output with a FORTRAN error message. Instead of term…
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**Summary**
I am trying to run a system with RESPA, and I found that the RESPA gives the following error:
`ERROR on proc 17: Out of range atoms - cannot compute PPPM (src/KSPACE/pppm.cpp:1940)`
W…
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### What is the expected behavior?
Simulation with noise is an embarrassingly parallel workload if one-shot simulation needs time. Multiple servers can reduce simulation time.
We think two c…