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**Related**
https://github.com/conda-forge/heat-feedstock/pull/15
**Feature functionality**
Verify that everything runs as expected with openmpi 5. So far, we're testing everything on 4.1.x
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Hi,
I find that mpi4py-fft is an excellent tool for performing the FFT in parallel, which greatly improves computational efficiency. However, I don't see anything in the documentation about how to lo…
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Hello, I'm not sure if this is supported anymore, but I'm a PHD student working with continuous-time quantum walks and I was very interested in experimenting with your simulator.
I was able to inst…
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For data-sets that are actually too large to hold on a single node, a `MPI` python script that distributes and collects the pair counts over `MPI` using `mpi4py` would be a valuable addition to the re…
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Hey,
I am trying to catch up with the latest developments, but alas am stumbling over the following error:
```
$ python airflowHPC/scripts/base_runner.py get_mass
[2024-08-19T09:46:17.402+020…
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Hi there!
I keep getting an error saying "Segmentation fault (11)" Below is the output.
`/ccs/home/atown/.lsbatch/1612382616.712256.shell: line 9: export: `=': not a valid identifier
[f34n11:16…
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Hi, I cannot run the lammps test examples, it seems like a variable is missing.
I get the follow error:
$>mpirun -n 2 ../ns_run < inputs.test.cluster.MC.lammps
WARNING: no quippy module loaded…
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I tried to build simex_platform as described here https://eucall-software.github.io/simex_platform/ and come to believe that the list of minimally required software is incomplete. From what I've seen,…
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Thread-MPI domain decomposition is working, but we should allow MPI domain decomposition with plugins. This requires some more fiddling with the MPI initialization in and out of GROMACS and sharing of…
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Hi,
This looks like a very good software. However, I have no clue how to run it, much less MELD-DNA. The documentation that exists seems very intricate and not easily reproducible, and I find no wa…