RMG v5.0.2

RMG v5.0.2 is a bug fix release for the 5.x series. Issues addressed include build errors on HIP enabled builds and incorrect forces for certain special cases.

RMG v5.0.1

The RMG developers are pleased to announce the release of version 5.0.1 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support for Nvidia and AMD hardware. RMG v5.0.1 is a major update to the version 4.x releases which in addition to bug fixes and performance enhancements provides improved accuracy for a wide range of calculations.

RMG v5.0.0

The RMG developers are pleased to announce the release of version 5.0.0 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support for Nvidia and AMD hardware. RMG v5.0.0 is a major update to the version 4.x releases which in addition to bug fixes and performance enhancements provides improved accuracy for a wide range of calculations.

RMG v5.0.0-beta1

First beta release of v5.0

RMG v4.3.1

The RMG developers are pleased to announce the release of version 4.3.1 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support for Nvidia and AMD hardware. RMG v4.3.1 is a minor update to v4.3.0 which in addition to bug fixes and performance enhancements provided additional functionality that enables calculation of STM images, symmetrization of anti-ferromagnetic systems, internal ONCV pseudo-potentials which are now the default and GPU finite differencing for orthorhombic grids. The latest code can be downloaded at either Sourceforge or github.

While not directly included in this release it is compatible with a new web based input file configurator that simplifies setup for new users. The interface is available at.

https://share.streamlit.io/rmgdft/rmgwebinterface/main/main.py

RMG v4.3.0

The RMG developers are pleased to announce the release of version 4.3.0 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support for Nvidia and AMD hardware. In addition to bug fixes and performance enhancements v4.3.0 provides additional functionality that enables calculation of STM images, symmetrization of anti-ferromagnetic systems, internal ONCV pseudo-potentials which are now the default and GPU finite differencing for orthorhombic grids. The latest code can be downloaded at either Sourceforge or github.

RMG v4.2.2

v4.2.2 provides improved QMCPACK integration, build system updates and added code to handle differences in blas threading models.

The RMG developers are pleased to announce the release of version 4.2.2 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support. Version 4.2 is a point release that adds AMD GPU support as well as bug fixes and performance enhancements. The latest code can be downloaded at either Sourceforge or github.

RMG v4.2.1

v4.2.1 is identical to v4.2.0 with the exception of some versioning and packaging changes.

The RMG developers are pleased to announce the release of version 4.2.0 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support. Version 4.2 is a point release that adds AMD GPU support as well as bug fixes and performance enhancements. The latest code can be downloaded at either Sourceforge or github.

RMG v4.2.0

The RMG developers are pleased to announce the release of version 4.2 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support. Version 4.2 is a point release that adds AMD GPU support as well as bug fixes and performance enhancements. The latest code can be downloaded at either Sourceforge or github.

RMG v4.1.0

The RMG developers are pleased to announce the release of version 4.1 of RMG, which is an open source DFT based code that uses real-space grids to represent electronic orbitals, charge densities and potentials. RMG is designed for high performance on clusters or supercomputers but works well for workstation-class problems as well. It uses extensive multi-level parallelization and provides full GPU support. Version 4.1 is a point release that adds support for semi-local pseudo potentials and additional lattice types. The latest code can be downloaded at either Sourceforge or github.