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Thanks very much for sharing your code. I got some problems about the training procedure. Unfortunately, the document about the training procudure is incomplete. Hope you can give me some guide on t…
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Recently, I've been trying to get the gromacs_engine branch to work on a computer cluster. Recently I've got it all running when invoking a command from the command line. When submitting an ops-script…
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In [scipy.optimize.minimize](https://github.com/scipy/scipy/blob/bbe2700ab2300a47b72b52dae449b83f956153e2/scipy/optimize/_minimize.py#L550) when we provide a function that computes function and jacobi…
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**Summary**
I've been looking at output based on calculations using the Kolgomorov Cresti type potentials (full and ILP) on a bilayer system.
Both give the strange behavior in attached files at…
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LightGBM is a new boosting framework, that is (really) extremely fast, scales to many cores
and provides highly accurate predictions for classification and regression type problems.
https://githu…
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Hey there,
when I run the sce algorithm in parallel, the burn-in phase works just right, but afterwards it seems, that there is something going wrong with the parallel processes. The estimated time g…
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- **WP5:** [High Performance Mathematical Computing](https://github.com/OpenDreamKit/OpenDreamKit/tree/master/WP5)
- **Lead Institution:** CNRS
- **Due:** 2019-08-31 (month 48)
- **Nature:** Demons…
minrk updated
4 years ago
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Dear Shankar,
I encountered this error:
LCAOMinimize: Iter: 0 Etot: +58246.1371311515758862 |grad|_K: 9.265e-03 alpha: 1.000e+00
LCAOMinimize: Test step failed with Etot = -nan, reducing…
jayuw updated
5 years ago
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We've been getting a bunch of questions/comments/pull-requests from folks interested in accelerating VIC with Open-MP / Manycore architectures - specifically targeting the the highly parallel Intel Xe…
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Hi. Thanks for the amazing code. I was running a comparison of Terconverter and Paraconverter as outlined here: https://github.com/abria/TeraStitcher/wiki/Multi-CPU-parallelization-using-MPI-and-Pytho…