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Dear Andrey,
I'm computing two-particle Green's functions for multi-orbital models. As you know, it is very costly. Since two-particle GF has a lot of components in multi-orbital models (N_orb^4 wh…
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It may be a good time to start scoping out which discretization and solver libraries the project will use to solve PDEs. It will be important to decide early on what kinds of parallelism will be supp…
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I heard that "old" GIMIC (stable branch) is more efficient than recent code (master code). Is this difference only the parallelization part? Or is there also a difference on a single core?
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We have a use case where we would like to dask.distributed to parallelize a python-bound C++ program that would work best if it could consume 8-32 threads depending on the problem size and will manage…
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Can you please output separate dynamic libraries for your project:
- libblas3.dll containing BLAS and CBLAS
- liblapack3.dll containing LAPACK (and _no_ LAPACKE, in keeping with industry norms)
inste…
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Like many other schedulers, k8s scheduler is a sequential scheduler handles pods one by one.
This makes the architecture and algorithm simpler, but in some cases a sequential scheduler could make wors…
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I think that iris has no parallel implementation for reading or writing NetCDF files.
HDF5 supports MPI parallelization and could be a great idea to implement this under iris project.
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Hello, I am a beginner in HAADF simulation and fortran coding. I am wondering if this code can be transplanted so that it can be runned in linux cluster. We hope to use it to simulate large system but…
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Kicked off by this post: https://groups.google.com/forum/#!topic/julia-dev/pQG6bSglkjc, maybe the home page should get a redesign. This issue is a location for discussion and brainstorming ideas for s…
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Hi,
I am running the following solvation settings:
fluid LinearPCM
pcm-variant CANDLE
fluid-solvent H2O
fluid-anion OH- 0.1
fluid-cation K+ 0.1
First I noticed that jDFTx quits with the err…