December 2016 - Allocations-admins - mailman3.cels.anl.gov

Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Roberts, John E. 08 Dec '16

08 Dec '16

Granted 50K now and let the user know we’ll be making a further decision Monday. -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 12/7/16, 10:51 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Bair, Raymond A." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of rbair(a)anl.gov> wrote: This one is a bit tricky, since the original request was reduced so much by the committee. I suggest granting 50K now and deferring the blanc of 250K to the committee on Monday. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 12/7/16, 9:32 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: Hello, A change in allocation has been requested: Requester: zhanga (Anqi Zhang) Project: ignition-plasma Title: Numerical Investigation of Plasma Fundamentals for Engine Ignition Applications Description: There are two major goals for this project: • Establish proper methodology to characterize different ignition systems and assess their effects on engine combustion • Investigate practical solutions to integrate essential physical processes to larger-scale engine simulations Detailed energy deposition method in Eulerian domain has been used and yielded promising results for conventional systems in FY2016. In FY2017, similar numerical approach will be carried on to: 1) improve conventional spark ignition model to account for local flow effects; 2) characterize non-equilibrium plasma discharge against experimental measurements (x-ray radiography and O-TALIF); 3) identify dominate species and reactions induced by non-equilibrium plasma ignition systems; 4) evaluate the effect of electric field; and 5) validate ignition model performance against optical flame kernel measurements. Simulations of this project will be performed using CONVERGE CFD code which features run-time mesh generation that speeds up pre-processing. Paraview together with python scripts will be used for post processing of CFD results. The computational cell count is on the order of one to a few million cells depending on the physical geometries. Currently, there will be only one member user (zhanga) working regularly on this project performing on average 2 jobs daily. A typical job would require 48-96 cores, yielding an estimation of quarterly core-hrs requirement of 64 cores x 24 hrs x 90 days x 2 jobs = 276,480. In addition, a portion of post processing will also be carried on the cluster to save file transfer time. With moderate queuing time taken into account, 225,000 core-hrs per quarter are requested for FY2017 for this project. The efforts will be distributed relatively evenly throughout the year. Current: undetermined amount Justification: Previous scalability tests performed on Blues have shown acceptable efficiency on up to 4 nodes: Job: Detailed energy deposition for spherical flame development in Eulerian domain (first 80 time steps during which high power energy release occurs): Nodes Wall Time Used (sec) Efficiency 1 node (16 cores) 3613 - 2 nodes (32 cores) 2053 88% 3 nodes (48 cores) 1502 80% 4 nodes (64 cores) 1195 76% Requested: 300000 A specific reason has been given: I'm requesting 300,000 core-hours for the rest of first half fiscal year 2017 (Oct-Mar). My original request (at beginning of FY2017) was 450,000 for the first half and was granted only 150,000. At this stage (about 1/3 of the first half of the fiscal year) the account balance is very low already, which shows a good match with originally expected core-hour consumption. Thus I'm asking to match the originally requested amount. This needs to be approved and the final allocation amount decided upon. 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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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Roberts, John E. 08 Dec '16

08 Dec '16

Time granted. -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 12/7/16, 10:48 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Bair, Raymond A." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of rbair(a)anl.gov> wrote: I recommend that we approve this request for 100K. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 12/7/16, 9:11 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: Hello, A change in allocation has been requested: Requester: tsizyuk (Tatyana Sizyuk) Project: HEIGHTS-3D Title: Advanced 2D and 3D Laser-Produced Plasma Processes modeling for EUV and BEUV Lithography and other advanced plasma applications. Modeling of transient events in full 3D fusion reactor environment. Description: The developed models and packages will be used for 1) the analysis of edge plasma and materials response during transient events in entire fusion reactor geometry and 2) optimization of LPP systems for industrial applications. The developed models will be benchmarked with in-house experiments at our CMUXE center. We will upgrade the HEIGHTS package to include detailed models for the description of laser/matter interactions in short and ultra-short laser systems with various materials and for accurate modeling of target evolution and dynamics. Parallel implementation of models will be analyzed to improve the efficiency of 3D HEIGHTS packages. We will study the following state-of-the art multi-phase multi-physics engineering applications: 1. Optimization of LPP systems for EUV and Water-Window photon sources using multi-beam lasers with different directions and energy. These tasks will require comprehensive full 3D simulations using parallel computations. 2. HEIGHTS 3D LPP package will be used also for modeling of colliding plasma experiments to study plasma characteristics in the stagnation layers and to predict new structures formation in dependence on LPP multi-beam device parameters. 3. HEIGHTS 3D package for modeling of fusion reactor environment will be used for the analysis of power exhaust issues in various tokamaks. Improvement of the efficiency of parallel calculations will be one of the important tasks for this comprehensive package optimization. We could not use extensively these packages during the last year due to reduced priority for our project that resulted in long time waiting in the queue. This is the reason also that we did not use all allocated time for our project, so we tried to concentrate our work on models development and optimization using small server system. We hope to get higher priority in near future to use developed codes on fast Blues cluster. We depend highly on the use of this cluster since our comprehensive packages could not run efficiently on other systems with insufficient computer resources. We would like to request 450,000 allocation hours to conduct various optimizations, benchmarking, and parametric studies of the HEIGHTS 3D packages for several projects during FY2017. ~20% of the allocation will be for non-parallel jobs Current: undetermined amount Justification: Requested: 100000 A specific reason has been given: We used extensively Blues System for 3D modeling of multi-laser devices and fusion reactor and used most of the time allocated for the first quarter of FY. We have several important tasks to finish with these simulations including optimization of our codes. Blues helps us much in this regard. Could you please increase our allocation for this quarter? This needs to be approved and the final allocation amount decided upon. 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 _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Roberts, John E. 08 Dec '16

08 Dec '16

Time granted. -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 12/7/16, 10:44 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Bair, Raymond A." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of rbair(a)anl.gov> wrote: This is a priority 2 (strategic) project, so I suggest we grant the 250K requested. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 12/6/16, 12:12 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: Hello, A change in allocation has been requested: Requester: svegendla (Prasad Vegendla) Project: CFD-TPM Title: Computational Fluid Dynamics Modeling of Two-phase Boiling Flow and Critical Heat Flux Description: In boiling water reactors, dryout is an important limiting phenomenon in the design of heat exchangers and is associated with the disappearance of the liquid film on the wall in heat exchanger tube. A consequence of this non-wetting heated surface deteriorates the convective heat transfer mechanism resulting in a large rise in the wall temperature of heat flux imposed system such as nuclear reactor fuel rod assemblies. Since dryout is a hydrodynamic phenomenon involving entrainment and re-deposition of droplets as well as boiling/evaporation of the liquid, the location of dryout is dynamic and its fluctuation may also give rise to thermal fatigue and corrosion. A large number of experimental and theoretical studies have been conducted over the past several decades to understand and quantify the processes leading to dryout in a heat exchanger tube. * Nek5000 is a highly-scalable open-source transient CFD code developed by MCS-Argonne National Laboratory. This code is based on spectral element method and it is written in basic FORTRAN and C languages. It has more than 200 users world-wide and a long history of development, verification, and validation. * In this project, Nek5000 is used as a platform to develop two-fluid model. * In order to validate the Nek5000 development for two-phase boiling capability, several simulation runs are planned for wide range of pressure, mass flux and wall heat flux. * In FY2016, blues allocated hours are efficiently used for projects of CFD-TPM and NE_RANS. * A total of 4 members can use the allocated hours Current: undetermined amount Justification: Nek5000 is a highly scalable tool on fusion. NE users demonstrated good scalability up to several hundred cores. Recent simulations of homogeneous two-fluid boiling model on Fusion cores reported 10% and 58% overhead associated with MPI communication for 128 and 256 cores, respectively. Requested: 250000 A specific reason has been given: For validation of NEK-2P two-fluid model simulations for full rod bundle and other boiling flow test case validations. This needs to be approved and the final allocation amount decided upon. 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 _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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FW: LCRC Project Renewals and New Requests - XRayCluster
by Bair, Raymond A. 08 Dec '16

08 Dec '16

Please release the FY2017 allocation for XRayCluster. They do not need to do a FY2016 report, since their project started 7/5/16. Regards, Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 12/7/16, 10:34 PM, "Phay Ho" <pho(a)anl.gov> wrote: Hi Raymond, When I checked my allocation for the XRayCluster, it is listed as "undetermined amount." Does that mean I did get any hours for FY17? Thanks, phay On 9/13/16 7:03 PM, Bair, Raymond A. wrote: > ** > ** By our count, we are about 40 project renewals short. You know who you are! > ** > ** Thank you to all who have submitted renewals. Please excuse this reminder. > ** > > > On 9/7/16, 9:21 AM, "Bair, Raymond A." <rbair(a)anl.gov> wrote: > > LCRC FY2017 project renewal and new project requests are due at 5:00 PM CDT on Wednesday, September 7, 2016. > > *** NOTE: In FY2017 LCRC plans to install a new computer, Bebop, which will become the main production system later that year. There will be a period of several months when the Lab’s Fusion nodes are gone (to make room) and all jobs need to run on Blues. We will provide more details when the schedule is set, along with information about Bebop and its early user program. > > PROJECT RENEWALS > > To renew your existing project, please use the renewal form on your project's management page on the LCRC Accounts website. Go to the Projects page at: > > https://accounts.lcrc.anl.gov/projects.php > > login, and click on the name of the project which you'll be renewing from > the list that appears. This will take you to the individual project's > management page where you should click on the "Project Renewal Request > Form" link at the top of the page. A form will then appear with places to > enter the project related data. You will need to enter an updated project > description highlighting your plans for FY2017, and an allocation request > with the desired amount for FY2017. As in previous years, specify your > project's time request by quarter; please fill in all 4 quarters on your > request. Note that unused time for a quarter expires at the end of each > quarter; see http://www.lcrc.anl.gov/node/30 for the details of the policy. > > Please also take the time to update any other information about your > project which might have changed. If your request is significantly larger > than FY2016, please give a heads-up to your project's Point of Contact on > the Allocations committee. Also indicate if your project is an > "industry" project. A typical industry project is one which is funded by > an industry partner (via work-for-others) or has an active industry co-PI > who is a member of the project or where the work is conducted under a > CRADA. It is expected that the results of the industry project will not > only advance the state-of-the-art in a given discipline but also > significantly benefit a certain industry sector. Please clearly identify > the roles of Argonne and the industry partner in the new box on the > request form. > > Once all the data on the form is up-to-date and complete, press the > 'Submit Renewal' button at the bottom. You will then be returned to the > individual project page with a message at the top indicating that the > renewal request was successfully sent. You and the project's Co-PIs will > also be sent a copy of the request via email. If you do not see the > message on the project page or don't receive the email, please contact > support(a)lcrc.anl.gov with the name of the project and the date and time > that you requested the renewal. > > > NEW PROJECT REQUESTS > > Requests for new projects for FY2017 are now being accepted as well. > To submit a NEW project request, please use the link at: > > https://accounts.lcrc.anl.gov/new-project.php > > > DEADLINES AND APPROVALS > > The deadline for requests is Wednesday, September 7th (5:00 pm CDT). The LCRC Allocations Committee will review all FY2017 requests and meet on Sep 15, 2016 to make decisions. PIs submitting the largest requests (as individuals or through groups of related projects) may be asked to provide a more detailed explanation of their usage including performance and scaling reports. These PIs will be contacted individually. > > For projects requesting a renewal, a FY2016 Yearly Project Report is > required to have been submitted before FY2017 allocations will be granted. > FY2016 Project Reports can be submitted using the form at: > > https://accounts.lcrc.anl.gov/reporting/project/2016/ > > If you have any questions, please send them to support(a)lcrc.anl.gov. > > Thank you, > > The LCRC Staff > > > > > > > > _______________________________________________ > lcrc-pi mailing list > lcrc-pi(a)lists.lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/lcrc-pi

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Re: [allocations-admins] User Time Request
by Bair, Raymond A. 08 Dec '16

08 Dec '16

OK, lets do what he requests. ----------------------------------------- Ray Bair Argonne National Laboratory On 12/7/16, 11:12 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Roberts, John E." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of jeroberts(a)anl.gov> wrote: User never got back to me, so I just pinged him again and he gave back a prompt response this time: “Can I move the time from the second half of the year? Is it possible to move something like 100000 hours?” -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 12/7/16, 10:43 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Bair, Raymond A." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of rbair(a)anl.gov> wrote: What did they decide to do? ----------------------------------------- Ray Bair Argonne National Laboratory On 11/30/16, 2:28 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Bair, Raymond A." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of rbair(a)anl.gov> wrote: We could offer to advance time from the 2nd half. That is an established procedure. Alternately we could add time to his project, though we would like hi to submit a request through the project system. Ray ----------------------------------------- Ray Bair Argonne National Laboratory and the University of Chicago On 11/30/16, 12:41 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Roberts, John E." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of jeroberts(a)anl.gov> wrote: To clarify, he wrote quarter, but upon checking he’s almost out of time for the half year (Q1 and Q2). Total hours used: 202644.81 Current balance: 1355.19 -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 11/30/16, 9:39 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Roberts, John E." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of jeroberts(a)anl.gov> wrote: Just following up on the below. Thanks! -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 11/28/16, 4:55 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Roberts, John E." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of jeroberts(a)anl.gov> wrote: Received this request from a user today: “Our allocation time of dmft_for_oxides project in this quarter is almost depleted. Would it be possible to transfer allocation time for the next quarter to this quarter since we have more heavy calculations scheduled this quarter than the next quarter? Thank you for your understanding. Best Regards -- Hyowon Park Assistant Professor, Department of Physics, Materials Science Division, University of Illinois at Chicago. Argonne National Lab.” Thanks. -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ 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 Allocation Request
by accounts＠lcrc.anl.gov 07 Dec '16

07 Dec '16

Hello, A change in allocation has been requested: Requester: tsizyuk (Tatyana Sizyuk) Project: HEIGHTS-3D Title: Advanced 2D and 3D Laser-Produced Plasma Processes modeling for EUV and BEUV Lithography and other advanced plasma applications. Modeling of transient events in full 3D fusion reactor environment. Description: The developed models and packages will be used for 1) the analysis of edge plasma and materials response during transient events in entire fusion reactor geometry and 2) optimization of LPP systems for industrial applications. The developed models will be benchmarked with in-house experiments at our CMUXE center. We will upgrade the HEIGHTS package to include detailed models for the description of laser/matter interactions in short and ultra-short laser systems with various materials and for accurate modeling of target evolution and dynamics. Parallel implementation of models will be analyzed to improve the efficiency of 3D HEIGHTS packages. We will study the following state-of-the art multi-phase multi-physics engineering applications: 1. Optimization of LPP systems for EUV and Water-Window photon sources using multi-beam lasers with different directions and energy. These tasks will require comprehensive full 3D simulations using parallel computations. 2. HEIGHTS 3D LPP package will be used also for modeling of colliding plasma experiments to study plasma characteristics in the stagnation layers and to predict new structures formation in dependence on LPP multi-beam device parameters. 3. HEIGHTS 3D package for modeling of fusion reactor environment will be used for the analysis of power exhaust issues in various tokamaks. Improvement of the efficiency of parallel calculations will be one of the important tasks for this comprehensive package optimization. We could not use extensively these packages during the last year due to reduced priority for our project that resulted in long time waiting in the queue. This is the reason also that we did not use all allocated time for our project, so we tried to concentrate our work on models development and optimization using small server system. We hope to get higher priority in near future to use developed codes on fast Blues cluster. We depend highly on the use of this cluster since our comprehensive packages could not run efficiently on other systems with insufficient computer resources. We would like to request 450,000 allocation hours to conduct various optimizations, benchmarking, and parametric studies of the HEIGHTS 3D packages for several projects during FY2017. ~20% of the allocation will be for non-parallel jobs Current: undetermined amount Justification: Requested: 100000 A specific reason has been given: We used extensively Blues System for 3D modeling of multi-laser devices and fusion reactor and used most of the time allocated for the first quarter of FY. We have several important tasks to finish with these simulations including optimization of our codes. Blues helps us much in this regard. Could you please increase our allocation for this quarter? This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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Re: [allocations-admins] User Time Request
by Roberts, John E. 07 Dec '16

07 Dec '16

User never got back to me, so I just pinged him again and he gave back a prompt response this time: “Can I move the time from the second half of the year? Is it possible to move something like 100000 hours?” -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 12/7/16, 10:43 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Bair, Raymond A." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of rbair(a)anl.gov> wrote: What did they decide to do? ----------------------------------------- Ray Bair Argonne National Laboratory On 11/30/16, 2:28 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Bair, Raymond A." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of rbair(a)anl.gov> wrote: We could offer to advance time from the 2nd half. That is an established procedure. Alternately we could add time to his project, though we would like hi to submit a request through the project system. Ray ----------------------------------------- Ray Bair Argonne National Laboratory and the University of Chicago On 11/30/16, 12:41 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Roberts, John E." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of jeroberts(a)anl.gov> wrote: To clarify, he wrote quarter, but upon checking he’s almost out of time for the half year (Q1 and Q2). Total hours used: 202644.81 Current balance: 1355.19 -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 11/30/16, 9:39 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Roberts, John E." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of jeroberts(a)anl.gov> wrote: Just following up on the below. Thanks! -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 11/28/16, 4:55 PM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of Roberts, John E." <allocations-admins-bounces(a)lcrc.anl.gov on behalf of jeroberts(a)anl.gov> wrote: Received this request from a user today: “Our allocation time of dmft_for_oxides project in this quarter is almost depleted. Would it be possible to transfer allocation time for the next quarter to this quarter since we have more heavy calculations scheduled this quarter than the next quarter? Thank you for your understanding. Best Regards -- Hyowon Park Assistant Professor, Department of Physics, Materials Science Division, University of Illinois at Chicago. Argonne National Lab.” Thanks. -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ allocations-admins mailing list allocations-admins(a)lcrc.anl.gov https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Bair, Raymond A. 07 Dec '16

07 Dec '16

I suggest granting 50K now and deferring the balance of 252K to the committee on Monday. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 12/7/16, 9:34 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: Hello, A change in allocation has been requested: Requester: heinonen (Olle Heinonen) Project: Meso Title: Mesoscale computational materials science Description: This project has three thrusts: (i) development of computational codes and algorithms for mesoscale modeling of inhomogeneous materials systems and applications of these codes, (ii) modeling of magnetic micron- and nano-scale systems, and (iii) first-principle modeling of metal/oxide/metal heterostructures and complex oxides. In the first thrust, we are developing scalable finite element codes for coupled elastic-ferroic systems, as well as charged particles immersed in a dielectric fluid subjected to electric fields. The code developments build on libraries such as libmesh and PETSc to achieve portable, scalable and highly efficiently parallelized codes. In particular, we are developing codes that combine fast-multipole methods with boundary element methods (FMM-BEM)to calculate long-range electrostatic and magnetostatic fields from bound and free surface charges. Within the MOOSE framework, we are also developing solvers for coupled ferroelectric/ferromagnetic-elastic systems. We will in the coming year integrate the FMM-BEM method with the MOOSE framework and apply the codes to study ferroelectric or ferromagnetic thin films and nanoparticles, as well as inhomogeneous composite multiferroic systems. We are in contact with a number of experimental groups with which we expect to collaborate. The work in this first thrust is integrated into codes under the MICCoM computational materials center led by Giulia Galli. The codes developed under this thrust are also massively scalable to leadership-class computer platforms. The programming language for these developments is C++. As we move from development to production phases we expect to run on up to 248 cores on fusion and blues. The MOOSE framework has been shown to scale almost linearly up to some 100k cores on BG/Q without any BG/Q-specific optimization. For the FMM-BEM method we have already shown linear scaling with the number of cores (using hybrid MPI-threading) to hundreds of cores. In the second thrust we are modeling static and dynamic magnet configurations in a variety of magnetic systems. This work is in collaboration with a number of experimental groups at Argonne and around the world. The workhorse of this thrust is a homemade micromagnetic code, or set of codes, in FORTRAN90 parallellized using OpenMP in addition to mkl libraries (in particular mkl dft); they only run on one node at a time but have been optimized and are highly efficient, typically running at 95% efficiency on eight to 32 cores. These runs typically consume one node on fusion or blues (all cores on the node), including the msd queue's Haswell nodes for one to 30 wall-hours. In thrust (iii), we are using the SIESTA/smeagol (a development version), quantum espresso (QE) and FHI-aims density functional theory based codes. All have been built and optimized for blues/fusion and we can routinely run on up to a few hundred cores (up to some tens of thousand cores on BG/Q) using hybrid parallelization (smeagol) or just MPI tasks (QE and FHI-aims). We are continuing to model electronic structure and transport properties of oxide heterostructures and complex oxides. The focus is shifting a bit FY2017 since this thrust will be aligned with the BES-funded computational materials center (led by ORNL). We expect there to be about seven members in this project (PI, two co-PIs, three post-docs and one graduate student). Current: undetermined amount Justification: The codes we will use have all been tested and optimized and run efficiently on blues. Requested: 302000 A specific reason has been given: We have already burnt through our 6-month allocation of 255k core-hours (except for 16k, which is not enough for one of the jobs I need to start), so we need additional time allocated. This needs to be approved and the final allocation amount decided upon. 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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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Bair, Raymond A. 07 Dec '16

07 Dec '16

This one is a bit tricky, since the original request was reduced so much by the committee. I suggest granting 50K now and deferring the blanc of 250K to the committee on Monday. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 12/7/16, 9:32 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: Hello, A change in allocation has been requested: Requester: zhanga (Anqi Zhang) Project: ignition-plasma Title: Numerical Investigation of Plasma Fundamentals for Engine Ignition Applications Description: There are two major goals for this project: • Establish proper methodology to characterize different ignition systems and assess their effects on engine combustion • Investigate practical solutions to integrate essential physical processes to larger-scale engine simulations Detailed energy deposition method in Eulerian domain has been used and yielded promising results for conventional systems in FY2016. In FY2017, similar numerical approach will be carried on to: 1) improve conventional spark ignition model to account for local flow effects; 2) characterize non-equilibrium plasma discharge against experimental measurements (x-ray radiography and O-TALIF); 3) identify dominate species and reactions induced by non-equilibrium plasma ignition systems; 4) evaluate the effect of electric field; and 5) validate ignition model performance against optical flame kernel measurements. Simulations of this project will be performed using CONVERGE CFD code which features run-time mesh generation that speeds up pre-processing. Paraview together with python scripts will be used for post processing of CFD results. The computational cell count is on the order of one to a few million cells depending on the physical geometries. Currently, there will be only one member user (zhanga) working regularly on this project performing on average 2 jobs daily. A typical job would require 48-96 cores, yielding an estimation of quarterly core-hrs requirement of 64 cores x 24 hrs x 90 days x 2 jobs = 276,480. In addition, a portion of post processing will also be carried on the cluster to save file transfer time. With moderate queuing time taken into account, 225,000 core-hrs per quarter are requested for FY2017 for this project. The efforts will be distributed relatively evenly throughout the year. Current: undetermined amount Justification: Previous scalability tests performed on Blues have shown acceptable efficiency on up to 4 nodes: Job: Detailed energy deposition for spherical flame development in Eulerian domain (first 80 time steps during which high power energy release occurs): Nodes Wall Time Used (sec) Efficiency 1 node (16 cores) 3613 - 2 nodes (32 cores) 2053 88% 3 nodes (48 cores) 1502 80% 4 nodes (64 cores) 1195 76% Requested: 300000 A specific reason has been given: I'm requesting 300,000 core-hours for the rest of first half fiscal year 2017 (Oct-Mar). My original request (at beginning of FY2017) was 450,000 for the first half and was granted only 150,000. At this stage (about 1/3 of the first half of the fiscal year) the account balance is very low already, which shows a good match with originally expected core-hour consumption. Thus I'm asking to match the originally requested amount. This needs to be approved and the final allocation amount decided upon. Thank You, The LCRC Accounts System

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Re: [allocations-admins] [LCRC Accounts] Project Allocation Request
by Bair, Raymond A. 07 Dec '16

07 Dec '16

I recommend that we approve this request for 100K. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 12/7/16, 9:11 AM, "allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov" <allocations-admins-bounces(a)lcrc.anl.gov on behalf of accounts(a)lcrc.anl.gov> wrote: Hello, A change in allocation has been requested: Requester: tsizyuk (Tatyana Sizyuk) Project: HEIGHTS-3D Title: Advanced 2D and 3D Laser-Produced Plasma Processes modeling for EUV and BEUV Lithography and other advanced plasma applications. Modeling of transient events in full 3D fusion reactor environment. Description: The developed models and packages will be used for 1) the analysis of edge plasma and materials response during transient events in entire fusion reactor geometry and 2) optimization of LPP systems for industrial applications. The developed models will be benchmarked with in-house experiments at our CMUXE center. We will upgrade the HEIGHTS package to include detailed models for the description of laser/matter interactions in short and ultra-short laser systems with various materials and for accurate modeling of target evolution and dynamics. Parallel implementation of models will be analyzed to improve the efficiency of 3D HEIGHTS packages. We will study the following state-of-the art multi-phase multi-physics engineering applications: 1. Optimization of LPP systems for EUV and Water-Window photon sources using multi-beam lasers with different directions and energy. These tasks will require comprehensive full 3D simulations using parallel computations. 2. HEIGHTS 3D LPP package will be used also for modeling of colliding plasma experiments to study plasma characteristics in the stagnation layers and to predict new structures formation in dependence on LPP multi-beam device parameters. 3. HEIGHTS 3D package for modeling of fusion reactor environment will be used for the analysis of power exhaust issues in various tokamaks. Improvement of the efficiency of parallel calculations will be one of the important tasks for this comprehensive package optimization. We could not use extensively these packages during the last year due to reduced priority for our project that resulted in long time waiting in the queue. This is the reason also that we did not use all allocated time for our project, so we tried to concentrate our work on models development and optimization using small server system. We hope to get higher priority in near future to use developed codes on fast Blues cluster. We depend highly on the use of this cluster since our comprehensive packages could not run efficiently on other systems with insufficient computer resources. We would like to request 450,000 allocation hours to conduct various optimizations, benchmarking, and parametric studies of the HEIGHTS 3D packages for several projects during FY2017. ~20% of the allocation will be for non-parallel jobs Current: undetermined amount Justification: Requested: 100000 A specific reason has been given: We used extensively Blues System for 3D modeling of multi-laser devices and fusion reactor and used most of the time allocated for the first quarter of FY. We have several important tasks to finish with these simulations including optimization of our codes. Blues helps us much in this regard. Could you please increase our allocation for this quarter? This needs to be approved and the final allocation amount decided upon. 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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