rsmpi
MPI bindings for Rust (by rsmpi)
Haskell-abinitio
contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method (by felipeZ)
rsmpi | Haskell-abinitio | |
---|---|---|
4 | 1 | |
442 | 13 | |
2.9% | - | |
7.2 | 0.0 | |
12 days ago | over 7 years ago | |
Rust | Haskell | |
Apache License 2.0 | Apache License 2.0 |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
rsmpi
Posts with mentions or reviews of rsmpi.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2023-02-24.
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Why should academic researchers use Rust?
Perhaps MPI?
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In which circumstances is C++ better than Rust?
- OpenMPI https://github.com/rsmpi/rsmpi and if you look at dependency you will find mpi-sys (is a rust thing but it is the current FFI part) and if go and look for it https://crates.io/crates/mpi-sys/0.2.0/dependencies sure it have it, bindgen as a dependency
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possibility of blas natively in Rust
I mean there's rsmpi (https://github.com/rsmpi/rsmpi) for MPI which now has a few active maintainers such as one who also works on PETSc and a few other HPC libraries.
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I have written a blog post about my experience using Rust for scientific numerical applications
Haven't used it myself. But this seems well maintained and very usable. https://github.com/rsmpi/rsmpi
Haskell-abinitio
Posts with mentions or reviews of Haskell-abinitio.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2021-04-08.
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I have written a blog post about my experience using Rust for scientific numerical applications
During my Ph.D., I made a Hartree-Fock implementation using Haskell (https://github.com/felipeZ/Haskell-abinitio). What I learnt from it is that most of the work is actually in implementing the integrals. But with Rust, you can take the integrals from libraries like libint2 (https://github.com/evaleev/libint) and focus on the implementation's physics. The integrals and the diagonalization of the resulting operators are the bottlenecks in both Hartree-Fock and DFT. So, if you take something like libint2 for the integrals and Nalgebra (https://nalgebra.org/) for the linear algebra, the application is going to be lightning-fast. But if you decide to implement the integrals yourself, I think it would take a significant time until you can reach the current Fortran/C++ implementation performance.
What are some alternatives?
When comparing rsmpi and Haskell-abinitio you can also consider the following projects:
libint - Libint: high-performance library for computing Gaussian integrals in quantum mechanics
node_crunch - Allows to distribute computations across several nodes
nalgebra - Linear algebra library for Rust.
openblas-src - Source of BLAS and LAPACK via OpenBLAS
libcint - general GTO integrals for quantum chemistry
intel-mkl-src - Redistribute Intel MKL as a crate
cargo-about - 📜 Cargo plugin to generate list of all licenses for a crate 🦀
unsafe-code-guidelines - Forum for discussion about what unsafe code can and can't do
unreal-rust - Rust integration for Unreal Engine 5