UNEDF project some perceived software issues and collaboration unedf项目的一些问题与协作感知软件.pptVIP

下载本文档

2
0
约1.04万字
约 21页
2018-06-27 发布于福建
举报
版权申诉

UNEDF project some perceived software issues and collaboration unedf项目的一些问题与协作感知软件.ppt

1、原创力文档（book118）网站文档一经付费（服务费），不意味着购买了该文档的版权，仅供个人/单位学习、研究之用，不得用于商业用途，未经授权，严禁复制、发行、汇编、翻译或者网络传播等，侵权必究。。
2、本站所有内容均由合作方或网友上传，本站不对文档的完整性、权威性及其观点立场正确性做任何保证或承诺！文档内容仅供研究参考，付费前请自行鉴别。如您付费，意味着您自己接受本站规则且自行承担风险，本站不退款、不进行额外附加服务；查看《如何避免下载的几个坑》。如果您已付费下载过本站文档，您可以点击这里二次下载。
3、如文档侵犯商业秘密、侵犯著作权、侵犯人身权等，请点击“版权申诉”（推荐），也可以打举报电话：400-050-0827(电话支持时间：9:00-18:30)。
4、该文档为VIP文档，如果想要下载，成为VIP会员后，下载免费。
5、成为VIP后，下载本文档将扣除1次下载权益。下载后，不支持退款、换文档。如有疑问请联系我们。
6、成为VIP后，您将拥有八大权益，权益包括：VIP文档下载权益、阅读免打扰、文档格式转换、高级专利检索、专属身份标志、高级客服、多端互通、版权登记。
7、VIP文档为合作方或网友上传，每下载1次，网站将根据用户上传文档的质量评分、类型等，对文档贡献者给予高额补贴、流量扶持。如果你也想贡献VIP文档。上传文档

UNEDF project some perceived software issues and collaboration unedf项目的一些问题与协作感知软件

K. Roche Future Technologies Group Computer Science and Mathematics Division Oak Ridge National Laboratory * THE UNEDF COLLABORATION –COMPUTER SCIENCE RESEARCH AND SOFTWARE DEVELOPMENT 1. Superfluid Local Density Approximation Imaginary Time DFT Solver –Magierski, Bulgac Time Dependent DFT –Bulgac, Yu 2. Coupled Cluster Tensor Based Products -Dean Time-Dependent Superfluid Local Density Approximation (TD-SLDA) generalization of Kohn-Sham LDA to superfluid systems Features of this extension to DFT: All nuclei (odd, even, spherical, deformed) Any quantum numbers of QRPA modes Fully selfconsistent, no self-consistent symmetries imposed Higgs mode of the pairing field in a homogeneous unitary Fermi gas - Bulgac, Yoon Observables and spectrum Space-time lattice use of FFTW for spatial derivative No matrix operations C version and F90 versions exist and are numerically consistent Energy and particle number are conserved in time Compiled and run on various platforms Intel Xeon dual processor, quad-core (2X) AMD Opteron single processor, dual-core (quad-core forthecoming) e.g. 40^3 on jaguarcnl on 3200 nodes at 58s / time step (1600 pes) 750e12 INS , 46e12 FLOP / time step Scaling behavior max lattice size ~ 66^3 on jaguar ~ ( 31,328 PEs , 2GB RAM / PE , 250TF ) (per time step) STORAGE ~ O(2^40 BYTE) , COMPUTE ~ O(2^40 FLOP) (per time step) Petascale problem at Nx = Ny = Nz 100 strong, fix lattice dimensions and add MPI processes thus reducing the number of qp wavefunctions per MPI process weak, increased problem complexity and hardware allocation, fixed walltime Metric ~ cost($,time) / lattice site / wavefunction / timestep / pe not ideal –memory bound 14.92 19.3 28.8 56.2 [s]/ts 12 16 24 48 NWF / PE 2304 1728 1152 576 PEs jaguarcnl (e.g. Nx = Ny = Nz = 30 ) -1.52279 -1.72843 -8.77394 -8.77839 -9.42799 -9.43092 -9.43214 -9.43674 -22.2401 -22.2402? 3D-lattice SO -1.52276 -1.72840 -9.20606 -9.21140 -9.21140 -9.2127