RudolfWeeber
RudolfWeeber
## Overview * https://github.com/icl-utk-edu/heffte * 3d FFT library with MPI and GPU-Support, backends include fftw, mkl, cufft, ... * Probably faster than the custom stuff in ESPResSo * The API...
* [ ] more selective ghost communication #4921 * [ ] Use AVX vectorization in all kernels (streaming, boundaries, reset force, ...). (It might be useful to automate the generatoin...
When adding new kernels, a lot of manual work is currently needed * write the actual kernel generation in `maintainer/walberla_kernels/generate_*.py` * generate, format and copy kernels to `src/walberla_bridge/src/lattice_boltzmann/generated_kernels` the following...
* [ ] parallelize charge and force assignment * [ ] use efficient parallel FFT library * [ ] parallelize K-space calculations ## Charge/force assignment * This is already a...
The high level of detail, eventhough, necessary, might make the installation instrucitons in the user guid a bit inaccessible. We can probably improve that by restructuring a bit: Mainly, we...
* Slightly shorter and more up-to-date introduction * Direct links to more documentation, shorter text * Mention trying ESPREsSo in the cloud
The actual incompatiility pertains to the center of mass calculation and everything that depends on it (such as fractal dimension). The cluster analysis itself only depends on 2-particle-distances via minimum...
## Background * introduce better control over propagation in ESPResSo * avoid the currently somewhat arbitrary split of funcitonality between integrators and theremostats. In the end, users need to control...