Difference between revisions of "Appendix F: expert-level options"
(Created page with "This section catalogs very advanced functionality that is stable and well-tested, but switched off by default. ==CUDA GPU support== Several functions in Spinach can make use ...") |
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# Matrix exponential calculation in [[propagator.m]] function. | # Matrix exponential calculation in [[propagator.m]] function. | ||
| + | # Matrix inverse-times-vector operation during the slow-passage detection in [[slowpass.m]] function. | ||
| + | # Krylov propagation in [[krylov.m]] and [[step.m]] functions. | ||
| − | + | Numerical pseudocontact shift solvers also support GPUs for the Fourier solver option. GPU support is enabled in [[ipcs.m]] and [[kpcs.m]] by specifying | |
| − | Numerical pseudocontact shift solvers also support GPUs for the Fourier solver option. | ||
options.gpu=1; | options.gpu=1; | ||
For the typical 128x128x128 point grids used in paramagnetic centre probability density reconstructions from PCS, using a Tesla K40 card results in up to an order of magnitude acceleration relative to 32 CPU cores. | For the typical 128x128x128 point grids used in paramagnetic centre probability density reconstructions from PCS, using a Tesla K40 card results in up to an order of magnitude acceleration relative to 32 CPU cores. | ||
Revision as of 15:07, 9 August 2016
This section catalogs very advanced functionality that is stable and well-tested, but switched off by default.
CUDA GPU support
Several functions in Spinach can make use of CUDA GPUs. If your computer has a recent NVidia graphics card, enabling that functionality may be beneficial. This is done by adding 'gpu' to the enable switch:
sys.enable={'gpu'};
Spinach kernel modules that can make use of GPU arithmetic are:
- Matrix exponential calculation in propagator.m function.
- Matrix inverse-times-vector operation during the slow-passage detection in slowpass.m function.
- Krylov propagation in krylov.m and step.m functions.
Numerical pseudocontact shift solvers also support GPUs for the Fourier solver option. GPU support is enabled in ipcs.m and kpcs.m by specifying
options.gpu=1;
For the typical 128x128x128 point grids used in paramagnetic centre probability density reconstructions from PCS, using a Tesla K40 card results in up to an order of magnitude acceleration relative to 32 CPU cores.
