1,437 research outputs found
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS
GROMACS is a widely used package for biomolecular simulation, and over the
last two decades it has evolved from small-scale efficiency to advanced
heterogeneous acceleration and multi-level parallelism targeting some of the
largest supercomputers in the world. Here, we describe some of the ways we have
been able to realize this through the use of parallelization on all levels,
combined with a constant focus on absolute performance. Release 4.6 of GROMACS
uses SIMD acceleration on a wide range of architectures, GPU offloading
acceleration, and both OpenMP and MPI parallelism within and between nodes,
respectively. The recent work on acceleration made it necessary to revisit the
fundamental algorithms of molecular simulation, including the concept of
neighborsearching, and we discuss the present and future challenges we see for
exascale simulation - in particular a very fine-grained task parallelism. We
also discuss the software management, code peer review and continuous
integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin
MLPerf Inference Benchmark
Machine-learning (ML) hardware and software system demand is burgeoning.
Driven by ML applications, the number of different ML inference systems has
exploded. Over 100 organizations are building ML inference chips, and the
systems that incorporate existing models span at least three orders of
magnitude in power consumption and five orders of magnitude in performance;
they range from embedded devices to data-center solutions. Fueling the hardware
are a dozen or more software frameworks and libraries. The myriad combinations
of ML hardware and ML software make assessing ML-system performance in an
architecture-neutral, representative, and reproducible manner challenging.
There is a clear need for industry-wide standard ML benchmarking and evaluation
criteria. MLPerf Inference answers that call. In this paper, we present our
benchmarking method for evaluating ML inference systems. Driven by more than 30
organizations as well as more than 200 ML engineers and practitioners, MLPerf
prescribes a set of rules and best practices to ensure comparability across
systems with wildly differing architectures. The first call for submissions
garnered more than 600 reproducible inference-performance measurements from 14
organizations, representing over 30 systems that showcase a wide range of
capabilities. The submissions attest to the benchmark's flexibility and
adaptability.Comment: ISCA 202
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