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Analyzed 3 months 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

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

Feb 8 2017 — Mar 10 2017

12 Month Summary

Mar 10 2016 — Mar 10 2017
  • 507 Commits
    Down -372 (42%) from previous 12 months
  • 24 Contributors
    Down -6 (20%) from previous 12 months