This is the Windows app named RMGDFT to run in Windows online over Linux online whose latest release can be downloaded as rmg-release_3.0.0.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.
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Wine is a way to run Windows software on Linux, but with no Windows required. Wine is an open-source Windows compatibility layer that can run Windows programs directly on any Linux desktop. Essentially, Wine is trying to re-implement enough of Windows from scratch so that it can run all those Windows applications without actually needing Windows.
RMGDFT to run in Windows online over Linux online
DESCRIPTION:
News: active RMG development has moved to github https://github.com/RMGDFTNews: V3.0.0 released on 06/09/2018 with major updates.
News: V2.2.2 released on 10/14/2017 with minor bug fixes.
News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon.
News: V2.1 with many improvements released on 07/15/2016. Sources and binaries are available.
RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.
Features
- Ab initio self consistent electronic structure code based on density functional theory
- Gamma and k-point calculations, spin polarization
- Runs on Linux/Unix, Windows and Mac
- Highly scalable to thousands of nodes and hundreds of thousands of CPU cores
- GPU accelerated: supports thousands of GPU-containing nodes with multiple GPU's per node
- Optional Openbabel support for importing atomic structures
- Supports both ultrasoft and norm conserving pseudopotentials
- Wide choice of DFT functionals including van der Waals via vdW-DF
- Hellman-Feynman forces, structure optimization and molecular dynamics
- To be released: optimally localized orbitals, quantum transport via self-consistent non-equilibrium Green’s function (NEGF) formalism
- Future capabilities: DFT+U, hybrid functionals, spin-orbital coupling, stress tensor
Audience
Science/Research
Programming Language
Fortran, C++, C
This is an application that can also be fetched from https://sourceforge.net/projects/rmgdft/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.