Supercomputer variant of Kahan quote

Article: Intel's Near-Threshold Voltage Computing and Applications
By: Emil Briggs (me.delete@this.nowherespam.com), October 20, 2012 8:33 am
Room: Moderated Discussions
> >
> > Just for reference. I'm not
> anonymous and I could care less
> > about tenure.
> >
> That's a good
> start.
>
> > A lot of supercomputer time gets used for density functional
>
> > calculations. And it has produced valid and useful results that are
> interesting
> > both commercially and from a pure science perspective. Indeed
> such calculations
> > have helped produce that desktop that you talk about
> since a detailed
> > understanding of the physical mechanisms involved is
> important to improving
> > semiconductor processes.
> >
> I was about two
> say that, well, you're the first person who hasn't responded to the effect that
> we are using horrible approximations with these big boxes to get answers with
> unknown and unknowable accuracy. But then I remembered two things. I have
> previously been informed by what I take to be a solid state physicist at IBM
> Watson that they were calculating solid state problems with answers accurate to
> five digits. Then I also remembered that one of the big open problems of big
> box computing was that predictions of electron mobility were off by a factor of
> five. Maybe that problem has been fixed, or maybe it's only necessary to get
> the sign of an effect correct (if you strain the lattice, the electron mobility
> improves--only, as Intel discovered, to its dismay, not as much as they had
> hoped). That you regard these gigantic calculations as a necessary tool of your
> trade and that you are passionate about it is clear. That I have exhausted the
> entire extent of my detailed knowledge of the subject is also clear. That's not
> to say that my understanding of the problem couldn't be improved, only, not in
> the context of a discussion like the current one. There's also a lot of
> gigantic cluster time being used to do computer animation and to do inverse
> scattering for oil exploration, and, at one time, someone in a position to know
> said that he knew of commercial clusters that had no interest in being on the
> Top 500 list but that would have blown it away. The difference is that those
> clusters are being funded with private risk capital, albeit with tax subsidies
> probably in both cases, and the decision to build them was clearly not driven by
> egos and academic/national lab politics.
>

There are physically measurable quantities in some solid state problems that can be calculated to a high degree of precision. But 5 digits is not necessary for the results to be useful and 2 or 3 digits is possible for a wide range of problems. DFT has even been successful in predicting some physical phenomena before they were experimentally observed which is a pretty good test of the validity of a particular methodology.

> > And there are DFT methods that
> scale well
> > computationally on supercomputers. A bigger limitation is that
> most DFT methods
> > exhibit O(N^3) or worse scaling with the number of atoms
> being simulated which
> > limits things to a few thousand atoms on the
> current generation of
> > supercomputers. To study larger systems (and there
> are plenty of commercial and
> > scientific reasons to want to do so) will
> require new algorithms.
> >
> Well, now there are two of you and a paper who
> appear to believe in perpetual motion.
>

I not sure what point you're trying to make here. DFT is based on first principles and has a very good track record but it's computationally very expensive. You can do a lot of useful work with it on systems that range up to a few thousand atoms but with O(N^3) scaling you can easily use up any feasible increase in computer power without extending the size range you can model very far. Hence the efforts to improve the algorithmic scaling. It's not a solved problem yet but it's not perpetual motion.
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TopicPosted ByDate
New article: Intel's Near-Threshold ComputingDavid Kanter09/18/12 12:26 PM
  Higher SRAM voltage and shared L1Paul A. Clayton09/18/12 02:38 PM
    Higher SRAM voltage and shared L1David Kanter09/18/12 05:20 PM
      Higher SRAM voltage and shared L1Eric09/20/12 10:44 AM
        Higher SRAM voltage and shared L1David Kanter09/20/12 12:24 PM
      Yes, that kind of asynchronousPaul A. Clayton09/20/12 02:53 PM
    Higher SRAM voltage and shared L1somebody09/19/12 09:27 AM
      So micro-turboboost is doubly impracticalPaul A. Clayton09/20/12 02:53 PM
  Big littleDoug S09/18/12 03:04 PM
    Big littleDavid Kanter09/18/12 04:05 PM
    Big littleRicardo B09/19/12 04:06 AM
  New article: Intel's Near-Threshold Computingdefderdar09/18/12 09:39 PM
    New article: Intel's Near-Threshold Computingtarlinian09/19/12 08:32 AM
      New article: Intel's Near-Threshold ComputingDavid Kanter09/19/12 10:44 AM
  New article: Intel's Near-Threshold ComputingMark Christiansen09/19/12 11:31 AM
    New article: Intel's Near-Threshold ComputingChris Brodersen09/19/12 12:54 PM
  New article: Intel's Near-Threshold ComputingEric09/20/12 10:47 AM
  Latency and HPC WorkloadsRobert Myers10/03/12 10:52 AM
    Latency and HPC Workloadsanon10/03/12 06:50 PM
      Latency and HPC WorkloadsRobert Myers10/04/12 10:24 AM
        Latency and HPC WorkloadsSHK10/08/12 05:42 AM
          Latency and HPC WorkloadsMichael S10/08/12 01:59 PM
            Latency and HPC WorkloadsSHK10/08/12 02:42 PM
              Latency and HPC WorkloadsMichael S10/08/12 05:12 PM
                Latency and HPC Workloadsforestlaughing10/15/12 08:41 AM
                  The original context was Micron RLDRAM (NT)Michael S10/15/12 08:55 AM
                    The original context was Micron RLDRAMforestlaughing10/15/12 10:21 AM
              Latency and HPC Workloads - Why not SRAM?Kevin G10/09/12 09:48 AM
                Latency and HPC Workloads - Why not SRAM?Michael S10/09/12 10:33 AM
                  Latency and HPC Workloads - Why not SRAM?SHK10/09/12 12:55 PM
                    Why not SRAM? - CapacityRohit10/09/12 09:13 PM
                  Latency and HPC Workloads - Why not SRAM?Kevin G10/09/12 03:04 PM
                    Latency and HPC Workloads - Why not SRAM?Michael S10/09/12 04:52 PM
                      Latency and HPC Workloads - Why not SRAM?Robert Myers10/10/12 10:11 AM
                        Latency and HPC Workloads - Why not SRAM?forestlaughing10/15/12 08:02 AM
                          Latency and HPC Workloads - Why not SRAM?Robert Myers10/15/12 09:04 AM
                            Latency and HPC Workloads - Why not SRAM?forestlaughing10/16/12 09:13 AM
                          Latency and HPC Workloads - Why not SRAM?SHK10/16/12 08:12 AM
                    Latency and HPC Workloads - Why not SRAM?slacker10/11/12 01:35 PM
                      SRAM leakageDavid Kanter10/11/12 03:00 PM
          Latency and HPC Workloadsforestlaughing10/15/12 08:57 AM
            Latency and HPC WorkloadsRobert Myers10/16/12 07:28 AM
              Latency and HPC WorkloadsMichael S10/16/12 07:35 AM
              Latency and HPC Workloadsanon10/16/12 08:17 AM
                Latency and HPC WorkloadsRobert Myers10/16/12 09:56 AM
                  Supercomputer variant of Kahan quotePaul A. Clayton10/16/12 11:09 AM
                    Supercomputer variant of Kahan quoteanon10/17/12 01:17 AM
                      Supercomputer variant of Kahan quoteRobert Myers10/17/12 04:34 AM
                        Supercomputer variant of Kahan quoteanon10/17/12 05:12 AM
                          Supercomputer variant of Kahan quoteRobert Myers10/17/12 02:38 PM
                            Supercomputer variant of Kahan quoteanon10/17/12 05:24 PM
                              Supercomputer variant of Kahan quoteRobert Myers10/17/12 05:45 PM
                                Supercomputer variant of Kahan quoteanon10/17/12 05:58 PM
                                Supercomputer variant of Kahan quoteanon10/17/12 05:58 PM
                                  Supercomputer variant of Kahan quoteRobert Myers10/17/12 07:14 PM
                                    Supercomputer variant of Kahan quoteanon10/17/12 08:36 PM
                                      Supercomputer variant of Kahan quoteRobert Myers10/18/12 09:47 AM
                                        Supercomputer variant of Kahan quoteanon10/19/12 02:34 AM
                                          Supercomputer variant of Kahan quoteanon10/19/12 04:47 AM
                                          Supercomputer variant of Kahan quoteRobert Myers10/19/12 03:14 PM
                        Supercomputer variant of Kahan quoteMichael S10/17/12 06:56 PM
                          Supercomputer variant of Kahan quoteanon10/17/12 09:02 PM
                            Supercomputer variant of Kahan quoteRobert Myers10/18/12 01:29 PM
                              Supercomputer variant of Kahan quoteanon10/19/12 02:27 AM
                                Supercomputer variant of Kahan quoteRobert Myers10/19/12 07:24 AM
                                  Supercomputer variant of Kahan quoteanon10/19/12 08:00 AM
                                    Supercomputer variant of Kahan quoteRobert Myers10/19/12 09:28 AM
                                      Supercomputer variant of Kahan quoteanon10/19/12 10:27 AM
                              Supercomputer variant of Kahan quoteforestlaughing10/19/12 10:26 AM
                                Supercomputer variant of Kahan quoteRobert Myers10/19/12 07:04 PM
                                  Supercomputer variant of Kahan quoteEmil Briggs10/20/12 04:52 AM
                                    Supercomputer variant of Kahan quoteRobert Myers10/20/12 07:51 AM
                                      Supercomputer variant of Kahan quoteEmil Briggs10/20/12 08:33 AM
                                        Supercomputer variant of Kahan quoteEmil Briggs10/20/12 08:34 AM
                                          Supercomputer variant of Kahan quoteRobert Myers10/20/12 09:35 AM
                                            Supercomputer variant of Kahan quoteEmil Briggs10/20/12 10:04 AM
                                              Supercomputer variant of Kahan quoteRobert Myers10/20/12 11:23 AM
                  Latency and HPC Workloadsanon10/16/12 06:48 PM
                    Latency and HPC Workloadsforestlaughing10/19/12 11:43 AM
              Latency and HPC Workloadsforestlaughing10/19/12 09:38 AM
                Latency and HPC WorkloadsRobert Myers10/19/12 11:40 AM
                Potential false economics in researchPaul A. Clayton10/19/12 12:54 PM
                  Potential false economics in researchVincent Diepeveen10/20/12 08:59 AM
                  Potential false economics in researchforestlaughing10/23/12 10:56 AM
                    Potential false economics in researchRobert Myers10/23/12 07:16 PM
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