A look at the performance of AMD Shanghai

Barker, Kevin; Davis, Marion Kei; Hoisie, Adolfy; Kerbyson, Darren J.; Lang, Michael K.; Pakin, Scott; Sancho, José Carlos

doi:10.2172/1172839

Cited by 5 publications

(5 citation statements)

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“…We believe that the reason for this is that the calculations were performed on a machine with four AMD 4 Quad-Core AMD Opteron 8354 processors per node. For these machines, it is known that memory bandwidth becomes rate limiting for compute and memory intensive operations. , However, a speedup of 9.6 is still observed with 14 processors. For parallel machines with better memory bandwidth better scalability is expected.…”

Section: Theorymentioning

confidence: 99%

Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods

Liakos

Hansen

Neese

2010

J. Chem. Theory Comput.

150

166

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A parallel implementation of the recently developed local pair natural orbital coupled electron pair approximation (LPNO-CEPA/n, n = Version 1, 2, or 3) and the corresponding LPNO coupled cluster method with single- and double excitations (LPNO-CCSD) is described. A detailed analysis alongside pseudocode is presented for the most important computational steps. The scaling with respect to the number of processors is reasonable and speedups of about 10 with 14 processors have been found in benchmark calculations (wall-clock time). The most important factor limiting the efficiency of the scaling with respect to the number of processors is probably the limited bandwidth of the presently prevailing multicore machines. The parallel LPNO methods were applied to study weak intermolecular interactions. Initially, the well-established S22 set of molecules was studied. The mean absolute error resulting from the use of the LPNO-CEPA/1 method relative to the most recent CCSD(T) reference data is found to be 0.24 kcal/mol. Thus, LPNO-CEPA/1 holds great promise for the efficient ab initio treatment of weak intermolecular interactions. In order to demonstrate the applicability of the methods to real systems, a two-dimensional potential energy surface for a trimer of 2,4-dihydroxy-3-acetyl-6-methyl acetophenone [C11H12O4] (81 atoms, 1296 basis functions, 133 single points) has been calculated with the LPNO-CEPA/1 method. In this system, a clear distinction can be made between hydrogen bonding and π-π interactions. The global minimum on the PES obtained from the calculations agrees excellently with the experimentally determined crystal structure. By contrast, popular density functional methods show no discernible minimum.

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Section: Theorymentioning

confidence: 99%

Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods

Liakos

Hansen

Neese

2010

J. Chem. Theory Comput.

150

166

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“…Content may change prior to final publication. For instance, the Clearspeed [5] processor had a two-core processor with wide SIMD operations, and the IBM PowerXCell 8i [6] had eight Synergistic Processing Elements (SPEs), each with SIMD instructions. New accelerators with any hope of benefiting from performance portability will have some variation of multiple processing elements or cores with SIMD operations, and will map into the same machine model.…”

Section: P 3 Machine Modelmentioning

confidence: 99%

Performant, Portable, and Productive Parallel Programming With Standard Languages

Wolfe

2021

Comput. Sci. Eng.

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The perfect solution to the P 3 (performance, portability, productivity) problem is a single version of an application that gives high performance across a wide range of target systems and is easy to develop and maintain. Actual solutions give up some level of performance, or portability, or productivity, or all three. Here we review three periods in the past 65 years when the P 3 problem had good solutions. But it's harder today, with greater parallelism. We propose and argue in favor of a machine model to help programmers design algorithms and data structures that will exhibit performance portability. We then discuss the main point, in what language to express a parallel program to get all three of high performance, wide portability, with good productivity. We propose that the community, including both applications developers and language implementers, should focus on the parallel features in existing and future standard languages.

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“…These vitamins include vitamin C, vitamin E, betacarotene and zinc oxide. This supplement has been proven to improve vision significantly in the human [14]. …”

Section: Development Of New Drug Moleculesmentioning

confidence: 99%

Recent Overview of Ocular Patents

Gaudana

Gokulgandhi²,

Boddu³

et al. 2012

DDF

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Ocular drug therapy has always been considered as a major challenge in the field of drug delivery. The presence of blood ocular barriers and efflux pumps has imposed a great concern as well. Various vision threatening disorders require a long term therapy of drug molecules, especially for the diseases that affect the posterior segment. Pharmaceutical companies and other research institutes have adopted a multidisciplinary approach to meet the current challenges which is evidenced by the trends seen in the published and filed U.S. patents. Various strategies have been employed to achieve long term sustained and targeted delivery for both the anterior and the posterior segments of the ocular diseases. These strategies include formulating drugs into implant, micro or nanoparticulate systems and hydrogel-based systems. Transporter targeted approach has also allowed scientists to deliver drugs to both the segments of the eye. Recent developments such as delivery of drugs utilizing ultrasound, iontophoresis and microneedle based devices have been promising. Gene-based therapeutics has opened a new avenue for vision threatening disorders. In all, the current developments in the entire field have been very exciting for finding out new strategies to treat vision threatening disorders.

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A look at the performance of AMD Shanghai

Cited by 5 publications

References 0 publications

Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods

Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods

Performant, Portable, and Productive Parallel Programming With Standard Languages

Recent Overview of Ocular Patents

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