Pierre Carrier

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ACKNOWLEDGEMENTS This study was conducted by the Working Group on Library Instruction of the Subcommittee on Libraries of the Conference of Rectors and Principals of Quebec Universities (CREPUQ), in cooperation with several other parties. We would like to thank the library Directors and Registrars of the participating universities for their invaluable(More)
The quasiharmonic approximation ͑QHA͒, in its simplest form also called the statically constrained ͑SC͒ QHA, has been shown to be a straightforward method to compute thermoelastic properties of crystals. Recently we showed that for noncubic solids SC-QHA calculations develop deviatoric thermal stresses at high temperatures. Relaxation of these stresses(More)
—High Performance Computing (HPC) Best Practice offers opportunities to implement lessons learned in areas such as computational chemistry and physics in genomics workflows, specifically Next-Generation Sequencing (NGS) workflows. In this study we will briefly describe how distributed-memory parallelism can be an important enhancement to the performance and(More)
Inhomogeneous dynamical mean-field theory has been employed to solve many interesting strongly interacting problems from transport in multilayered devices to the properties of ultra-cold atoms in a trap. The main computational step, especially for large systems, is the problem of calculating the inverse of a large sparse matrix to solve Dyson's equation and(More)
We describe techniques that we are implementing to move inhomogeneous dynamical mean-field theory simulations from two-to three-dimensions. Two-dimensional simulations typically run on 2,000 -- 10,000 lattice sites, while three-dimensional simulations typically need to run on 1,000,000 or more lattice sites. The inhomogeneous dynamical mean-field theory(More)
—NERSC has partnered with 20 representative application teams to evaluate performance on the Xeon-Phi Knights Landing architecture and develop an application-optimization strategy for the greater NERSC workload on the recently installed Cori system. In this article, we present early case studies and summarized results from a subset of the 20 applications(More)
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