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Analyzed 18 days ago. based on code collected 18 days 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

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

This Project has No vulnerabilities Reported Against it

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Languages

Languages?height=75&width=75
C
86%
C++
9%
14 Other
5%

30 Day Summary

Jan 10 2017 — Feb 9 2017

12 Month Summary

Feb 9 2016 — Feb 9 2017
  • 548 Commits
    Down -309 (36%) from previous 12 months
  • 29 Contributors
    Up + 2 (7%) from previous 12 months