hpc-uk / build-instructionsLinks
Contains build scripts and instructions for software on a variety of UK HPC resources
☆87Updated 3 months ago
Alternatives and similar repositories for build-instructions
Users that are interested in build-instructions are comparing it to the libraries listed below
Sorting:
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆63Updated 5 years ago
- Selected Decomposition Routines☆18Updated this week
- Molecular dynamics proxy application based on Cabana☆21Updated 6 months ago
- High-Performance configuration patterns and recipes.☆46Updated this week
- Developer repository for the LATTE code☆46Updated 4 months ago
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆145Updated last week
- Up-scale python functions for high performance computing (HPC)☆43Updated this week
- The JUBE benchmarking environment provides a script based framework to easily create benchmark sets, run those sets on different computer…☆41Updated last year
- MultiResolution Chemistry☆34Updated 3 months ago
- Library for steering campaigns of simulations on supercomputers☆58Updated 2 months ago
- MiniMD Molecular Dynamics Mini-App☆49Updated 5 months ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated last week
- Domain specific library for electronic structure calculations☆147Updated this week
- DFT-FE: Real-space DFT calculations using Finite Elements☆144Updated last week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago
- The simple testing framework☆102Updated 11 months ago
- ☆21Updated 3 months ago
- ☆31Updated 7 months ago
- Library for Green’s function based electronic structure theory calculations☆26Updated 3 months ago
- Python powered Fortran preprocessor☆201Updated last week
- ScaFaCoS library for Fast Coulomb Solvers☆30Updated 6 months ago
- ☆40Updated 3 weeks ago
- Short instructional Fortran codes associated with Twitter @FortranTip☆74Updated 3 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆36Updated 3 weeks ago
- Performance benchmarks and regression tests for the ExCALIBUR project☆25Updated last week
- TChem - A Software Toolkit for the Analysis of Complex Kinetic Models☆62Updated 9 months ago
- Wrapper interface for MPI☆94Updated 3 months ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated this week
- A generic implementation of tensor einsum in Fortran.☆29Updated 4 years ago
- Simulate experimental data and optimize chemical kinetics mechanisms with this GUI-based application☆34Updated last year