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dc.contributor.authorWittek, Peter
dc.contributor.authorCucchietti, Fernando M.
dc.contributor.otherBarcelona Supercomputing Center
dc.date.accessioned2016-04-28T08:19:50Z
dc.date.available2016-04-28T08:19:50Z
dc.date.issued2013-04
dc.identifier.citationWittek, Peter; Cucchietti, Fernando M. A second-order distributed Trotter–Suzuki solver with a hybrid CPU–GPU kernel. "Computer Physics Communications", Abril 2013, vol. 184, núm. 4, p. 1165-1171.
dc.identifier.issn0010-4655
dc.identifier.urihttp://hdl.handle.net/2117/86316
dc.description.abstractThe Trotter-Suzuki approximation leads to an efficient algorithm for solving the timedependent Schrödinger equation. Using existing highly optimized CPU and GPU kernels, we developed a distributed version of the algorithm that runs efficiently on a cluster. Our implementation also improves single node performance, and is able to use multiple GPUs within a node. The scaling is close to linear using the CPU kernels, whereas the efficiency of GPU kernels improve with larger matrices. We also introduce a hybrid kernel that simultaneously uses multicore CPUs and GPUs in a distributed system. This kernel is shown to be efficient when the matrix size would not fit in the GPU memory. Larger quantum systems scale especially well with a high number nodes. The code is available under an open source license.
dc.description.sponsorshipThis work was carried out while P. W. was visiting the Department of Computer Applications in Science & Engineering at the Barcelona Supercomputing Center, funded by the \Access to BSC Facilities" project of the HPC-Europe2 programme (contract no. 228398).
dc.format.extent7 p.
dc.language.isoeng
dc.publisherElsevier
dc.rightsAttribution-NonCommercial-NoDerivs 4.0 International License
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectÀrees temàtiques de la UPC::Enginyeria mecànica
dc.subject.lcshAlgorithmic language
dc.subject.lcshCluster analysis--Computer programs
dc.subject.otherGPU Computing
dc.subject.otherMPI
dc.subject.otherHamiltonian
dc.subject.otherQuantum Evolution
dc.subject.otherTrotter-Suzuki Algorithm
dc.subject.otherHybrid Kernel
dc.titleA second-order distributed Trotter–Suzuki solver with a hybrid CPU–GPU kernel
dc.typeArticle
dc.subject.lemacAlgorismes computacionals
dc.subject.lemacComputació distribuïda
dc.identifier.doi10.1016/j.cpc.2012.12.008
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttp://www.sciencedirect.com/science/article/pii/S0010465512004043
dc.rights.accessOpen Access
dc.description.versionPostprint (author's final draft)
dc.relation.projectidinfo:eu-repo/grantAgreement/EC/FP7/228398/EU/Pan-European Research infrastructure on High Performance Computing for 21st century Science/HPC-EUROPA2
upcommons.citation.publishedtrue
upcommons.citation.publicationNameComputer Physics Communications
upcommons.citation.volume184
upcommons.citation.number4
upcommons.citation.startingPage1165
upcommons.citation.endingPage1171


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