- MARVEL
- Datasets
Datasets in Space MARVEL
Create datasets to upload and publish data. Further organize your data using folders and assign metadata at both the file and dataset level.
The frontiers and the challenges - Nicola Marzari
An introduction to the properties that can be calculated with DFT, their accuracy, and the practical or conceptual limitations for such calculations. Suitable for everyone that wants to learn what can, or cannot, be done with DFT. Will also answer the perennial question “Why is DFT like Tinder?”.
- 0 1 0 160 0
Density-functional practice - Nicola Marzari
An introduction to calculations using the total energy, planewaves, pseudopotential method. Suitable for everyone that wants to learn how to perform a DFT calculation. A self-learning handout and a virtual machine with pre-installed open-source quantum-simulation codes are also available - we'll use Quantum ESPRESSO. (Note: annotated slides are not available.)
- 0 1 0 425 0
Density-functional theory - Nicola Marzari
An introduction to electronic-structure methods and in particular density-functional theory. Suitable for everyone that wants to learn what DFT is.
- 0 1 0 541 0
Introduction to EasyBuild Tutorial
The tutorial will cover what we outlined in the tutorial proposal we made for ISC'20. Our proposal got accepted but since ISC'20 has been transformed into an online conference without tutorials, the tutorial has been postponed until ISC'21. We did not want to let this opportunity go to waste however...
If you are interested in learning more about the basics of EasyBuild, and if you are not afraid to make your hands dirty by following with the hands-on exercises, please try it out!
- 0 14 1 8854 0
- 1 1 0 11544 0
Kokkos: Enabling many-core performance portability through polymorphic memory access patterns
The many-core revolution can be characterized by increasing thread counts, decreasing memory per thread, and diversity of continually evolving many-core architectures.High performance computing (HPC) applications and libraries must exploit increasingly finer levels of parallelism within their codes to sustain scalability on these devices. A major obstacle to performance portability is the diverse and conflicting set of constraints on memory access patterns across devices. Contemporary portable programming models address many-core parallelism (e.g., OpenMP, OpenACC, OpenCL) but fail to address memory access patterns.
The Kokkos C++ library enables applications and domain libraries to achieve performance portability on diverse many-core architectures by unifying abstractions for both fine-grain data parallelism and memory access patterns. In this tutorial we describe Kokkos’ abstractions, summarize its application programmer interface (API), present performance results for unit-test kernels and mini-applications, and outline an incremental strategy for migrating legacy C++ codes to Kokkos. The Kokkos library is under active research and development to incorporate capabilities from new generations of many-core architectures, and to address a growing list of applications and domain libraries.
- 1 13 0 3474 0
Introduction to OpenACC
Presented by Dr. Jony Castagna
- 0 2 0 3604 0
- 0 1 0 7232 0
- 0 1 0 8054 0
If you are interested in learning more about the basics of EasyBuild, and if you are not afraid to make your hands dirty by following with the hands-on exercises, please try it out!
The Kokkos C++ library enables applications and domain libraries to achieve performance portability on diverse many-core architectures by unifying abstractions for both fine-grain data parallelism and memory access patterns. In this tutorial we describe Kokkos’ abstractions, summarize its application programmer interface (API), present performance results for unit-test kernels and mini-applications, and outline an incremental strategy for migrating legacy C++ codes to Kokkos. The Kokkos library is under active research and development to incorporate capabilities from new generations of many-core architectures, and to address a growing list of applications and domain libraries.