Release Notes

pyMOR 0.4 (September 28, 2016)

With the pyMOR 0.4 release we have changed the copyright of pyMOR to

Copyright 2013-2016 pyMOR developers and contributors. All rights reserved.

Moreover, we have added a Contribution guideline to help new users with starting to contribute to pyMOR. Over 800 single commits have entered this release. For a full list of changes see here. pyMOR 0.4 contains contributions by Andreas Buhr, Michael Laier, Falk Meyer, Petar Mlinarić and Michael Schaefer. See here for more details.

Release highlights

FEniCS and deal.II support

pyMOR now includes wrapper classes for integrating PDE solvers written with the dolfin library of the FEniCS project. For a usage example, see pymordemos.thermalblock_simple.discretize_fenics. Experimental support for deal.II can be found in the pymor-deal.II repository of the pyMOR GitHub organization.

Parallelization of pyMOR’s reduction algorithms

We have added a parallelization framework to pyMOR which allows parallel execution of reduction algorithms based on a simple WorkerPool interface [#14]. The greedy [#155] and ei_greedy algorithms [#162] have been refactored to utilize this interface. Two WorkerPool implementations are shipped with pyMOR: IPythonPool utilizes the parallel computing features of IPython, allowing parallel algorithm execution in large heterogeneous clusters of computing nodes. MPIPool can be used to benefit from existing MPI-based parallel HPC computing architectures [#161].

Support classes for MPI distributed external PDE solvers

While pyMOR’s VectorArray, Operator and Discretization interfaces are agnostic to the concrete (parallel) implementation of the corresponding objects in the PDE solver, external solvers are often integrated by creating wrapper classes directly corresponding to the solvers data structures. However, when the solver is executed in an MPI distributed context, these wrapper classes will then only correspond to the rank-local data of a distributed VectorArray or Operator.

To facilitate the integration of MPI parallel solvers, we have added MPI helper classes [#163] in pymor.vectorarrays.mpi, pymor.operators.mpi and pymor.discretizations.mpi that allow an automatic wrapping of existing sequential bindings for MPI distributed use. These wrapper classes are based on a simple event loop provided by pymor.tools.mpi, which is used in the interface methods of the wrapper classes to dispatch into MPI distributed execution of the corresponding methods on the underlying MPI distributed objects.

The resulting objects can be used on MPI rank 0 (including interactive Python sessions) without any further changes to pyMOR or the user code. For an example, see pymordemos.thermalblock_simple.discretize_fenics.

New reduction algorithms

Copy-on-write semantics for VectorArrays

The copy method of the VectorArray interface is now assumed to have copy-on-write semantics. I.e., the returned VectorArray will contain a reference to the same data as the original array, and the actual data will only be copied when one of the arrays is changed. Both NumpyVectorArray and ListVectorArray have been updated accordingly [#55]. As a main benefit of this approach, immutable objects having a VectorArray as an attribute now can safely create copies of the passed VectorArrays (to ensure the immutability of their state) without having to worry about unnecessarily increased memory consumption.

Improvements to pyMOR’s discretizaion tookit

Caching improvements

  • state id generation is now based on deterministic pickling. In previous version of pyMOR, the state id of immutable objects was computed from the state ids of the parameters passed to the object’s __init__ method. This approach was complicated and error-prone. Instead, we now compute the state id as a hash of a deterministic serialization of the object’s state. While this approach is more robust, it is also slightly more expensive. However, due to the object’s immutability, the state id only has to be computed once, and state ids are now only required for storing results in persistent cache regions (see below). Computing such results will usually be much more expensive than the state id calculation [#106].
  • CacheRegions now have a persistent attribute indicating whether the cache data will be kept between program runs. For persistent cache regions the state id of the object for which the cached method is called has to be computed to obtain a unique persistent id for the given object. For non-persistent regions the object’s uid can be used instead. pymor.core.cache_regions now by default contains 'memory', 'disk' and 'persistent' cache regions [#182], [#121] .
  • defaults can now be marked to not affect state id computation. In previous version of pyMOR, changing any default value caused a change of the state id pyMOR’s defaults dictionary, leading to cache misses. While this in general is desirable, as, for instance, changed linear solver default error tolerances might lead to different solutions for the same Discretization object, it is clear for many I/O related defaults, that these will not affect the outcome of any computation. For these defaults, the defaults decorator now accepts a sid_ignore parameter, to exclude these defaults from state id computation, preventing changes of these defaults causing cache misses [#81].
  • As an alternative to using the @cached decorator, cached_method_call can be used to cache the results of a function call. This is now used in solve to enable parsing of the input parameter before it enters the cache key calculation [#231].

Additional new features

Backward incompatible changes

pyMOR 0.3 (March 2, 2015)

  • Introduction of the vector space concept for even simpler integration with external solvers.
  • Addition of a generic Newton algorithm.
  • Support for Jacobian evaluation of empirically interpolated operators.
  • Greatly improved performance of the EI-Greedy algorithm. Addition of the DEIM algorithm.
  • A new algorithm for residual operator projection and a new, numerically stable a posteriori error estimator for stationary coercive problems based on this algorithm. (cf. A. Buhr, C. Engwer, M. Ohlberger, S. Rave, ‘A numerically stable a posteriori error estimator for reduced basis approximations of elliptic equations’, proceedings of WCCM 2014, Barcelona, 2014.)
  • A new, easy to use mechanism for setting and accessing default values.
  • Serialization via the pickle module is now possible for each class in pyMOR. (See the new ‘analyze_pickle’ demo.)
  • Addition of generic iterative linear solvers which can be used in conjunction with any operator satisfying pyMOR’s operator interface. Support for least squares solvers and PyAMG (http://www.pyamg.org/).
  • An improved SQLite-based cache backend.
  • Improvements to the built-in discretizations: support for bilinear finite elements and addition of a finite volume diffusion operator.
  • Test coverage has been raised from 46% to 75%.

Over 500 single commits have entered this release. A full list of all changes can be obtained under the following address: https://github.com/pymor/pymor/compare/0.2.2...0.3.0