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GregDMeyer/dynamite: v0.4.0

Authors: Gregory D. Kahanamoku-Meyer; Julia Wei;

GregDMeyer/dynamite: v0.4.0

Abstract

Added Detailed example scripts (in examples/scripts) Operator.expectation(), convenience function to compute the expectation value of the operator with respect to a state dynamite.tools.MPI_COMM_WORLD() which returns PETSc's MPI communicator object Operator.precompute_diagonal flag allows user to tune whether the matrix diagonal should be precomputed and saved, for shell matrices State.entanglement_entropy member function (a more convenient way of using computations.entanglement_entropy, which also remains) tools.get_memory_usage which can measure memory usage on a total, per rank, or per node basis Multi-GPU parallelism via GPU-aware MPI Removed --track_memory flag to benchmark.py---now memory usage is always reported by the benchmarking script tools.get_max_memory_usage and tools.get_cur_memory_usage in favor of a single function tools.get_memory_usage Changed Operator.msc_size renamed to Operator.nterms, and now invokes a call to Operator.reduce_msc() shell matrix-vector multiplications are now considerably faster Improved automatic version check; no longer leaves .dynamite files in working directory GPU builds now automatically switch to CPU if a GPU is not found (and print a warning) Changed default bind mount location for Docker images to the container user's home directory, /home/dnm Renamed some values of which argument of eigsolve(): smallest→lowest and largest→highest Shift-invert ("target") eigsolving on GPU disabled, as PETSc does not support it well Fixed Explicit subspace sometimes failed conservation check even when operator was actually conserved Build was broken with Cython 3 Work around broken petsc4py and slepc4py builds with pip>=23.1 (see PETSc issue) Operator.__str__ and Operator.table() were formatted poorly for operators with complex coefficients various issues in dynamite.extras Performance was bad on Ampere (e.g. A100) GPUs unless a particular SLEPc flag was set. The flag is now automatically set.

Keywords

PETSc, quantum, parallel, SLEPc, GPU, CUDA, MPI, Krylov, Python

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This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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