Mantevo / miniMD
MiniMD Molecular Dynamics Mini-App
☆50Updated 2 months ago
Alternatives and similar repositories for miniMD:
Users that are interested in miniMD are comparing it to the libraries listed below
- Molecular dynamics proxy application based on Kokkos☆33Updated 9 months ago
- Molecular dynamics proxy application based on Cabana☆21Updated 2 months ago
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated 9 months ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆62Updated 5 years ago
- Tensor Algebra Library Routines for Shared Memory Systems☆38Updated last year
- A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)☆30Updated 2 months ago
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆142Updated this week
- Classical molecular dynamics proxy application.☆31Updated 4 years ago
- Sparse 3D FFT library with MPI, OpenMP, CUDA and ROCm support☆53Updated 2 months ago
- ☆12Updated last year
- Training examples for SYCL☆42Updated this week
- This aims to be an wrapper to C-MPI3 for C++, using the principles of simplicity, STL, RAII and Boost and enforcing type-safety. This i…☆21Updated 6 months ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated last month
- SLATE is a distributed, GPU-accelerated, dense linear algebra library targetting current and upcoming high-performance computing (HPC) sy…☆113Updated 3 months ago
- PaRSEC is a generic framework for architecture aware scheduling and management of micro-tasks on distributed, GPU accelerated, many-core …☆57Updated 2 weeks ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆33Updated last month
- A massively parallel library for computing the functions of sparse matrices.☆22Updated 4 months ago
- Specialized Parallel Linear Algebra, providing distributed GEMM functionality for specific matrix distributions with optional GPU acceler…☆29Updated 10 months ago
- Partitioned Global Address Space (PGAS) library for distributed arrays☆102Updated this week
- A flexible, templated GPU library of neighbor search algorithms.☆11Updated 3 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆20Updated last month
- Autopas is a node-level auto-tuned particle simulation library developed in the context of the TaLPas project.☆37Updated this week
- OpenMP offload playground☆10Updated 5 months ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last week
- Process-based Asynchronous Progress Model for MPI Communication☆9Updated 4 years ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆84Updated this week
- DPLASMA is a highly optimized, accelerator-aware, implementation of a dense linear algebra package for distributed heterogeneous systems…☆12Updated last month
- Kripke is a simple, scalable, 3D Sn deterministic particle transport code☆40Updated 4 months ago
- The Basic Matrix Library (bml)☆40Updated last month
- The Task-Aware MPI (TAMPI) library extends the functionality of standard MPI libraries by providing new mechanisms for improving the inte…☆24Updated 5 months ago