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Analyzed 28 days ago. based on code collected 3 months ago.

Project Summary

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but but thanks to its speed, many groups also use it for research on non-biological systems, e.g. polymers.

Speed is one of the key features that makes GROMACS particularly attractive. Thanks to the strong emphasis on bottom-up performance tuning: hand-tuned CPU SIMD kernels are available for most CPU architectures, CUDA-and OpenCL-based GPU acceleration together with efficient multi-threading and neutral-territory domain-decomposition with MPI SPMD parallelization is supported.

Tags

avx avx2 bgq C++11 cuda gpu gromacs high_performance_computing hpc moleculardynamics molecular_dynamics molecularsimulation molecular_simulation mpi OpenCL parallelcomputing science scientific_computing simd sse2

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These details are provided for information only. No information here is legal advice and should not be used as such.

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This Project has No vulnerabilities Reported Against it

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Languages

Languages?height=75&width=75
C
37%
XML
23%
C++
34%
13 Other
6%

30 Day Summary

Jul 29 2019 — Aug 28 2019

12 Month Summary

Aug 28 2018 — Aug 28 2019
  • 1436 Commits
    Up + 450 (45%) from previous 12 months
  • 31 Contributors
    Up + 8 (34%) from previous 12 months