hpc-uk / build-instructionsLinks
Contains build scripts and instructions for software on a variety of UK HPC resources
☆88Updated 2 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☆65Updated 5 years ago
- High-Performance configuration patterns and recipes.☆45Updated last week
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated last week
- Up-scale python functions for high-performance computing (HPC)☆58Updated last week
- Developer repository for the LATTE code☆46Updated 2 months ago
- Molecular dynamics proxy application based on Cabana☆21Updated 9 months ago
- Main ESPResSo++ repository☆45Updated last week
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆41Updated this week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 4 years ago
- MultiResolution Chemistry☆38Updated last week
- Benchmark calculations with Quantum Espresso☆15Updated last year
- Domain specific library for electronic structure calculations☆155Updated this week
- MiniMD Molecular Dynamics Mini-App☆50Updated 9 months ago
- A massively parallel library for computing the functions of sparse matrices.☆26Updated 2 weeks ago
- ☆31Updated 10 months ago
- DFT-FE: Real-space DFT calculations using Finite Elements☆151Updated last month
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆146Updated last week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆54Updated last week
- A python wrapper around ScaLAPACK☆33Updated 3 years ago
- ScaFaCoS library for Fast Coulomb Solvers☆30Updated 9 months ago
- ☆21Updated last week
- TChem - A Software Toolkit for the Analysis of Complex Kinetic Models☆64Updated 3 months ago
- Library for Green’s function based electronic structure theory calculations☆28Updated 3 weeks ago
- This is the official GPL repository of the yambo code☆124Updated last week
- Material for the workshop at FortranCon 2020☆19Updated 5 years ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆82Updated 11 months ago
- testcode is a python module for testing for regression errors in numerical (principally scientific) software.☆25Updated 3 years ago
- Wrapper interface for MPI☆97Updated 2 months ago
- The JUBE benchmarking environment provides a script based framework to easily create benchmark sets, run those sets on different computer…☆42Updated last year
- Code generator for simint vectorized integrals☆29Updated 2 years ago