[petsc-dev] exascale applications and PETSc usefulness

Oxberry, Geoffrey Malcolm oxberry1 at llnl.gov
Thu Sep 8 11:36:05 CDT 2016

On 9/7/16, 10:59 PM, "petsc-dev-bounces at mcs.anl.gov on behalf of Barry
Smith" <petsc-dev-bounces at mcs.anl.gov on behalf of bsmith at mcs.anl.gov>

>    The list of exascale applications funded has been publicly released:
>   I've pasted the ones below that "may" need or utilize capabilities
>provided by PETSc:
>	€ Exascale Modeling of Advanced Particle Accelerators, Jean-Luc Vay
>	€ An Exascale Subsurface Simulator of Coupled Flow, Transport, Reactions
>and Mechanics, Carl Steefel (LBNL) with LLNL, NETL
>	€ Exascale Predictive Wind Plant Flow Physics Modeling, Steve Hammond
>(NREL) with SNL, ORNL, University of Texas Austin
>	€ QMCPACK: A Framework for Predictive and Systematically Improvable
>Quantum-Mechanics Based Simulations of Materials, Paul Kent (ORNL) with
>ANL, LLNL, SNL, Stone Ridge Technology, Intel, Nvidia
>	€ Coupled Monte Carlo Neutronics and Fluid Flow Simulation of Small
>Modular Reactors, Thomas Evans (ORNL, PI) with ANL, INL, MIT
>	€ Transforming Additive Manufacturing through Exascale Simulation
>(TrAMEx), John Turner (ORNL) with LLNL, LANL, NIST

PETSc did not come up in TrAMEx meetings I was involved in, and I do not
believe it will be used. I will try to find out if plans have changed. It
could be useful, and maybe the new stuff Todd is planning to add to TAO
will help. In its current form, we simply can¹t model the nonlinear
programs we would need to solve using the production-ready solvers in TAO
without kludging something together. Such a kludge would not be a robust
implementation. TAOIPM could work in principle, but my impression is that
it still needs work. Some of the SQP stuff I was working on in PETSc
started to address this gap also; my goal is to clean that up by the 18th.


>	€ NWChemEx: Tackling Chemical, Materials and Biomolecular Challenges in
>the Exascale Era, T. H. Dunning, Jr. (PNNL), with Ames, ANL, BNL, LBNL,
>ORNL, PNNL, Virginia Tech
>	€ High-Fidelity Whole Device Modeling of Magnetically Confined Fusion
>Plasma, Amitava Bhattacharjee (PPPL) with ANL, ORNL, LLNL, Rutgers, UCLA,
>University of Colorado
>	€ Data Analytics at the Exascale for Free Electron Lasers, Amedeo
>Perazzo (SLAC) with LANL, LBNL, Stanford
>	€ Transforming Combustion Science and Technology with Exascale
>Simulations, Jackie Chen (SNL) with LBNL, NREL, ORNL, University of
>	€ Cloud-Resolving Climate Modeling of the Earth¹s Water Cycle, Mark
>Based on the names alone it is hard to say for some of them. If anyone
>has useful information on the needs/approaches of these projects please
>let us know so we can determine if there any place for PETSc.
>   Thanks
>    Barry

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