January 2015 - Allocations-admins - mailman3.cels.anl.gov

Re: [allocations-admins] [LCRC Accounts] Project Request: navistar_tbc
by John Valdes 21 Jan '15

21 Jan '15

Industry project; Approve; 110K, PoC, etc, same as Sibendu's industry projects. John On Wed, Jan 21, 2015 at 01:56:29PM -0600, accounts(a)lcrc.anl.gov wrote: > Hello, > > A new project on the LCRC cluster has been requested. Please forward > the information on to the LCRC Allocation sub-committee. > > Applicant's name: Zihan Wang > Applicant's institution: ANL > Applicant's division: Energy Systems > Project Name: navistar_tbc > Project title: Development of an Advanced Conjugate Heat Transfer Model for ICE Applications > Associated funding: DOE - Office of Vehicle Technologies > Other Systems: Navistar International Corporation > Science: Navistar is one of the four participating teams in the U.S. Department of Energy (DOE) SuperTruck program. Navistar aims at improving brake thermal efficiency by 20% on their 13-liter MaxxForce engine by 2015. Besides previously explored technologies, such as dual-fuel combustion, an emerging technology, i.e., thermal barrier coatings (TBC) will be applied to the piston and other surfaces in order to reduce the heat losses through the cylinder walls. Wall heat transfer not only affects the in-cylinder pressure and temperature, but also the wall fuel film vaporization, mixture formation, etc. All these factors together significantly affect the engine efficiency, emissions and component thermal stress, i.e., durability. > The idea of thermal barrier coating is to minimize the heat transfer to maximize the engine brake thermal efficiency. An advanced conjugate heat transfer (CHT) model will be developed and tested to study the transient heat transfer between the combustion chamber the cylinder walls (primarily the piston). The procedure is critical to future engine design and development that aim at reducing the thermal efficiency losses. > > Project description: The project is divided into three major tasks to be performed in collaboration with Navistar: > Task 1: Develop and validate baseline combustion model (no CHT) without TBC on several engine speed-load conditions; investigate effects of prescribed piston temperature on combustion model results to examine the sensitivity of wall temperatures to engine efficiency and emissions; develop a CHT simulation model including the entire piston geometry > Task 2: Validate the CHT simulation model with and without TBC on several engine speed-load conditions > Task 3: Make material recommendations and configuration recommendations; extend simulation studies to thermal barrier coating to liners, cylinder head, manifolds and valves. > The specific methods used for the multi-phase, reacting flow simulations with moving boundaries will include: > 1) Finite volume schemes > 2) RANS turbulence models used > 3) Detailed chemical kinetic models for diesel fuels > 4) CONVERGE software is being used > 5) Scales well up-to 128 processors > 6) A new CHT model > > Industry partnership: Navistar International Corporation > Project URL: > Requested allocation: 490000 > Q1: 0 > Q2: 110000 > Q3: 190000 > Q4: 190000 > Justification: > Storage requirements: > > > The requester has used undetermined amount hours of their initial startup project. > > In addition to approving an initial amount, please specify a Category > and Subcategory for this project. For a list of the current selection > of approved categories, please see: > > https://wiki.lcrc.anl.gov/wiki/Processes/Categories > > Once the Allocation committee has approved the project, please go to > the Project Management page to create it: > > https://accounts.lcrc.anl.gov/projects.php > > Thank You, > The LCRC Accounts System > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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[LCRC Accounts] Project Request: navistar_tbc
by accounts＠lcrc.anl.gov 21 Jan '15

21 Jan '15

Hello, A new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Zihan Wang Applicant's institution: ANL Applicant's division: Energy Systems Project Name: navistar_tbc Project title: Development of an Advanced Conjugate Heat Transfer Model for ICE Applications Associated funding: DOE - Office of Vehicle Technologies Other Systems: Navistar International Corporation Science: Navistar is one of the four participating teams in the U.S. Department of Energy (DOE) SuperTruck program. Navistar aims at improving brake thermal efficiency by 20% on their 13-liter MaxxForce engine by 2015. Besides previously explored technologies, such as dual-fuel combustion, an emerging technology, i.e., thermal barrier coatings (TBC) will be applied to the piston and other surfaces in order to reduce the heat losses through the cylinder walls. Wall heat transfer not only affects the in-cylinder pressure and temperature, but also the wall fuel film vaporization, mixture formation, etc. All these factors together significantly affect the engine efficiency, emissions and component thermal stress, i.e., durability. The idea of thermal barrier coating is to minimize the heat transfer to maximize the engine brake thermal efficiency. An advanced conjugate heat transfer (CHT) model will be developed and tested to study the transient heat transfer between the combustion chamber the cylinder walls (primarily the piston). The procedure is critical to future engine design and development that aim at reducing the thermal efficiency losses. Project description: The project is divided into three major tasks to be performed in collaboration with Navistar: Task 1: Develop and validate baseline combustion model (no CHT) without TBC on several engine speed-load conditions; investigate effects of prescribed piston temperature on combustion model results to examine the sensitivity of wall temperatures to engine efficiency and emissions; develop a CHT simulation model including the entire piston geometry Task 2: Validate the CHT simulation model with and without TBC on several engine speed-load conditions Task 3: Make material recommendations and configuration recommendations; extend simulation studies to thermal barrier coating to liners, cylinder head, manifolds and valves. The specific methods used for the multi-phase, reacting flow simulations with moving boundaries will include: 1) Finite volume schemes 2) RANS turbulence models used 3) Detailed chemical kinetic models for diesel fuels 4) CONVERGE software is being used 5) Scales well up-to 128 processors 6) A new CHT model Industry partnership: Navistar International Corporation Project URL: Requested allocation: 490000 Q1: 0 Q2: 110000 Q3: 190000 Q4: 190000 Justification: Storage requirements: The requester has used undetermined amount hours of their initial startup project. In addition to approving an initial amount, please specify a Category and Subcategory for this project. For a list of the current selection of approved categories, please see: https://wiki.lcrc.anl.gov/wiki/Processes/Categories Once the Allocation committee has approved the project, please go to the Project Management page to create it: https://accounts.lcrc.anl.gov/projects.php Thank You, The LCRC Accounts System

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Re: [allocations-admins] [lcrc-core] Project Allocation Request - Lattice-QCD
by John Valdes 14 Jan '15

14 Jan '15

Granted. John On Wed, Jan 14, 2015 at 10:16:31PM +0000, Bair, Raymond A. wrote: > 500K * 0.28 = 140K. Lets approve that. > > Ray > > > From: "Steven C. Pieper" <spieper(a)anl.gov<mailto:[email protected]>> > Organization: Physics, Argonne National Laboratory > Reply-To: "Pieper, Steven C." <spieper(a)anl.gov<mailto:[email protected]>> > Date: Wednesday, January 14, 2015 at 4:13 PM > To: Ray Bair <rbair(a)anl.gov<mailto:[email protected]>> > Subject: Re: FW: [allocations-admins] [LCRC Accounts] Project Allocation Request > > I guess that 0.28 is reasonable. I assume Blues is still > pretty full and so long as APS continues to have its nodes, > I would not give him any more. > > Steve > > Steven C. Pieper: spieper(a)anl.gov<mailto:[email protected]> > Argonne National Laboratory, Physics Division, Bldg. 203, Argonne, IL 60439 > Phone: 630-252-4232 Fax -6008 > Secretary, Debra Morrison, -4100 > > > On 01/14/15 16:01, Bair, Raymond A. wrote: > > Steve, > > What would you recommend that we do with Don's request? He has used the > 600K hours allocated for the first half, and is asking for another 500K. > We are not sure whether that additional 500K is just for the first half or > not. > > For other projects requesting addition time at the December meeting, we > multiplied their request by 0.28. Would that be appropriate here? > > Regards, > > Ray > > > _______________________________________________ > lcrc-core mailing list > lcrc-core(a)lists.lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/lcrc-core

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Re: [allocations-admins] New LCRC report submitted for mpich_abi
by Bair, Raymond A. 12 Jan '15

12 Jan '15

Sounds good. Ray ---------- Ray Bair Argonne National Laboratory, and The University of Chicago rbair (at) anl.gov<http://anl.gov> Sent from my iPad On Jan 12, 2015, at 6:58 PM, John Valdes <valdes(a)anl.gov<mailto:[email protected]>> wrote: On Mon, Jan 12, 2015 at 03:57:11PM -0600, support(a)lcrc.anl.gov<mailto:[email protected]> wrote: Full project report at https://accounts.lcrc.anl.gov/reporting/project/2014/?project=mpich_abi We finally got a report from mpich_abi (I had talked w/ one of the PIs). Not an extensive report, but given the nature of the project and the amount of time used last FY, good enough. An HTMLified version can be viewed at https://www.lcrc.anl.gov/jazz/CSAC/project-reports-2014/Progress/mpich_abi.… (there's a link to that all the HTMLified Progress Reports on the CSAC webpage, under the "2014 Project PI Progress Reports" link--5th row in the table on CSAC page). I've now turned on this project, granting them 25K for each of Q2, Q3 and Q4 as they requested in their FY15 project renewal. John _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov<mailto:[email protected]> https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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Re: [allocations-admins] New LCRC report submitted for mpich_abi
by John Valdes 12 Jan '15

12 Jan '15

On Mon, Jan 12, 2015 at 03:57:11PM -0600, support(a)lcrc.anl.gov wrote: > Full project report at https://accounts.lcrc.anl.gov/reporting/project/2014/?project=mpich_abi We finally got a report from mpich_abi (I had talked w/ one of the PIs). Not an extensive report, but given the nature of the project and the amount of time used last FY, good enough. An HTMLified version can be viewed at https://www.lcrc.anl.gov/jazz/CSAC/project-reports-2014/Progress/mpich_abi.… (there's a link to that all the HTMLified Progress Reports on the CSAC webpage, under the "2014 Project PI Progress Reports" link--5th row in the table on CSAC page). I've now turned on this project, granting them 25K for each of Q2, Q3 and Q4 as they requested in their FY15 project renewal. John

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New LCRC report submitted for mpich_abi
by support＠lcrc.anl.gov 12 Jan '15

12 Jan '15

Full project report at https://accounts.lcrc.anl.gov/reporting/project/2014/?project=mpich_abi

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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 10 Jan '15

10 Jan '15

Hello, A change in allocation has been requested: Requester: sinclair (Donald Sinclair) Project: Lattice-QCD Title: Lattice simulations of Conformal and Walking Technicolor. Description: We perform simulations to evaluate the functional integrals of QCD-like theories formulated on a discrete space-time lattice, to enable determination of the non-perturbative aspects these theories. These include the properties of these theories at non-zero temperature, including the scales of confinement and chiral symmetry breaking, and such zero temperature properties as spectra (including the Higgs mass), decay constants and the running of the gauge coupling constant. We are particularly interested in those theories where the coupling constant evolves very slowly, since these are candidate 'Walking Technicolor' theories. Related to these are theories with an infrared fixed point (conformal field theories). Our first goal is to differentiate between these two different types of behaviour for candidate theories. We are performing simulations of QCD-like theories which are models for Walking or Conformal Technicolor. We have been studying theories which are essentially QCD but with colour-sextet rather than colour-triplet quarks. We hope to measure the running of the QCD coupling constant. For 2 or 3 flavours, 2-loop perturbation theory predicts an infrared fixed point. For 2 flavours, it is possible that a chiral condensate forms before this fixed point is reached. If so, the fixed point is avoided, the theory is confining, and chiral symmetry breaks spontaneously. However, there is a region where the coupling constant evolves very slowly. These are the properties required for a walking technicolor theory. Simulations we have performed so far at finite temperature suggest that this theory might walk. So far the results are inconclusive. For 3 flavours we know that the theory should be conformal. Simulations at N_t=6 (12^3 X 6 lattice) and N_t=8 (16^3 X 8 lattice), some of which used Fusion, did not yet show evidence of conformality. We are thus moving to N_t=12 (24^3 X 12 lattice). We started these simulations on Blues, and intend to continue them in FY2015 on Blues, while performing lower mass simulations on Edison at NERSC. Our sextet quark codes are based on our earlier triplet quark codes and use the RHMC simulation method. The Rational Hybrid Monte Carlo (RHMC) is a stochastic molecular dynamics algorithm. The functional integral of QCD is written as a partition function of a classical field theory evolving in a fictitious time. The determinant of the Dirac operator raised to a fractional power is calculated by introducing bosonic fields (pseudofermions), and sandwiching this Dirac operator raised to minus said fractional power between them. This fractional power of the Dirac operator is approximated to machine accuracy by a rational approximation. After defining this this theory on a discrete space-time lattice, the inversions required by the partial-fraction expansion of the rational approximation are performed using Krylov space methods, in particular a multi-shift extension of the conjugate gradient algorithm. A global Metropolis Monte-Carlo accept/reject step applied at the end of each trajectory removes discretization errors introduced by the numerical integration of these stochastic equations of motion. We parallelize the code by assigning a fixed number of adjacent lattice sites to each MPI task. Network bandwidth ultimately limits how small a chunk of the lattice can be assigned to each task. Our 24^3 X 12 runs will be performed on 288 cores (18 nodes) of Blues. A short benchmark run of the 24^3 X 12 code yielded 667 Gflops or 2.3 Gflops/core. Since we have seen performances of > 3 Gflops/core on machines with similar processors, we suspect that at least 3 Gflops/core should be achievable on this machine. Since we have exhausted our allocation on Blues, we cannot perform more extensive tests. Scaling tests on Fusion and on Edison at NERSC for numbers of cores from 24 up to 288 cores indicate that the per core performance increases up to 144 or 288 cores, which we believe to be related to cache usage. Our new project, simulating QCD at finite mu using Complex Langevin with Gauge Cooling, will require some code development. Our old codes do not as yet have gauge cooling and our parallel code uses SHMEM rather than MPI for communication. Since the real Langevin is the limit of our Hybrid Molecular Dynamics code (the forerunner of the RHMC method) in which there is a single update per trajectory, most of what we have discussed for the RHMC applies, and will not be repeated here. We plan to use Blues and Carver at NERSC for the early, small-lattice simulations, 8^3 X 4 on 32 cores and 8^4 on 64 cores. Because of the smaller memory requirements, allowing more efficient cache usage, we expect to get a minimum performance of 3-4 Gflops/core for this code. Our requested allocation is based on running 1 288 core job half of the time at times when the NERSC machines are experiencing slowdowns for amall jobs. Current: undetermined amount Justification: We have not yet performed a detailed scaling analysis on Blues, however, we have such analyses performed on Fusion as well as Edison at NERSC. For Fusion, for our QCD with sextet quarks code on a 24^3 X 12 lattice running on Fusion we observed the following performances: 24 cores = 45 Gflops = 1.9 Gflops/core 48 cores = 95 Gflops = 2.0 Gflops/core 72 cores = 148 Gflops = 2.1 Gflops/core 96 cores = 220 Gflops = 2.3 Gflops/core 144 cores = 369 Gflops = 2.6 Gflops/core 288 cores = 784 Gflops = 2.7 Gflops/core For the same code and lattice size running on Edison at NERSC we observed the following performances. 24 cores = 53 Gflops = 2.2 Gflops/core 48 cores = 115 Gflops = 2.4 Gflops/core 72 cores = 191 Gflops = 2.7 Gflops/core 96 cores = 245 Gflops = 2.6 Gflops/core 144 cores = 510 Gflops = 3.5 Gflops/core 288 cores = 959 Gflops = 3.3 Gflops/core We use a custom assignment of tasks to nodes in order to minimize communications. Earlier recoding reduced the number of global reductions in the routines, which use most of the CPU time, by a factor of 2. The node codes are transparently vectorizable, to allow use of SSE instructions. Requested: 500000 A specific reason has been given: Needed to complete runs for parameter sets currently being run on blues. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 02 Jan '15

02 Jan '15

Hello, A change in allocation has been requested: Requester: vmishra (Vivek Mishra) Project: DW_SC Title: Competing orders in unconventional superconductors Description: We use model Hamiltonians to study the competing phases in the underdoped cuprates and iron pnictides. We intend to study these phases by solving full numerical equations based on many body methods. These results will also check the validity of the approximations made to solve some of these problems analytically. Algorithms to solve these microscopic equations involve many different numerical techniques, including large scale matrix algebra, non-linear system of equation and differential equations. Current: undetermined amount Justification: Requested: 499999 A specific reason has been given: I implemented a new algorithm to calculate Eigenvalues of large matrices. For my problem I am dealing with matrices order of 200000x200000. To benchmark my new code I had to check my results against an old but well established method, which is also numerically unstable. In this process I used more core-hours than I anticipated. I found that my new approach to calculate the eigenvalues of huge matrices is very efficient and numerically more stable. I has passed the tests I performed. Hence I need more core-hours to continue my work. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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