January 2017 - Allocations-admins - mailman3.cels.anl.gov

Fwd: [LCRC Accounts] Project Request: bldg_energy_modeling
by Bair, Raymond A. 24 Jan '17

24 Jan '17

Sounds good to me. Ray Sent from my iPhone Begin forwarded message: From: "Bair, Raymond A." <rbair(a)anl.gov<mailto:[email protected]>> Date: January 16, 2017 at 11:56:34 AM CST To: LCRC Allocations Admins <allocations-admins(a)lcrc.anl.gov<mailto:[email protected]>> Subject: Re: [allocations-admins] [LCRC Accounts] Project Request: bldg_energy_modeling Reply-To: LCRC Allocations Admins <allocations-admins(a)lcrc.anl.gov<mailto:[email protected]>> I recommend that we allocate 10K for this project, where 10K is the minimum for future project allocations. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 1/14/17, 8:48 PM, "allocations-admins-bounces(a)lcrc.anl.gov<mailto:[email protected]> on behalf of accounts(a)lcrc.anl.gov<mailto:[email protected]>" <allocations-admins-bounces(a)lcrc.anl.gov<mailto:[email protected]> on behalf of accounts(a)lcrc.anl.gov<mailto:[email protected]>> 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: Ralph T. Muehleisen Applicant's institution: ANL Applicant's division: ES Project Name: bldg_energy_modeling Project title: Building Energy Modeling Associated funding: DOE Building Technologies Office Other Systems: Science: Large scale energy modeling of buildings. Collections of hundreds to thousands of buildings of various types and vintages in dozens of locations. Project description: Resources are needed for running building energy models for estimating the energy impacts of new technologies. Hundreds of prototype buildings covering multiple building types and vintages and in many locations of the country are required. This will utilize NREL's OpenStudio, an Open Source building energy modeling package. Computed data will be post processed using Python. Industry partnership: Project URL: Requested allocation: 3000 Q1: 0 Q2: 1000 Q3: 1000 Q4: 1000 Justification: N/A Storage requirements: under 1 TB 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<mailto:[email protected]> https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins _______________________________________________ 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] Project Allocation Request - ESMF
by Bair, Raymond A. 24 Jan '17

24 Jan '17

Dear Silverio Vasquez, The current ESMF project allocation is 12,000 core-hours for FY2017. So far, 34,000 core-hours have been used. Requesting more time is fine; however, more information is needed. You say that the tests are running longer than expected. However, going from 34,000 to 350,000 core-hours is quite a jump. Can you show us how this estimate was made, e.g., core-hours for a run, times the number of runs needed? Regards, Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 1/23/17, 12:51 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: svasquez (Silverio Vasquez) Project: ESMF Title: Earth System Modeling Framework Description: The previously released NUOPC Layer reference API was refined to provide a more object-oriented interface that better reflects the NUOPC Driver, Model, Connector, and Mediator concepts. The NUOPC Driver now allows child components to be added dynamically, supporting the implementation of more flexible applications. String labels are consistently used to identify component instances and initialize/run/finalize phases. The introduction of namespaces allows for more control over automatic field pairing, and LocStreams (a geometric type that can be used to represent a set of disconnected points) can now be transferred between components during initialize. The compliance checker has become aware of the component context and produces more useful output. Finally, some of the utility routines previously contained in the NUOPC Layer have moved into ESMF. In the area of ESMF regridding, a new application, ESMF_Regrid, was added. This command-line tool can be used to regrid a data field defined in a UGRID or GRIDSPEC format file to another field defined in a different file. The ESMF_RegridWeightGen application, which precomputes regridding weights, now supports additional options to i) allow non-conservative regridding on cell center locations in the unstructured case, ii) ignore degenerate cells, and iii) choose between different line options when regridding on a sphere. The ESMF regridding implementation now supports an option for using a first order conservative method for unstructured Meshes built on DOE's MOAB mesh library (the version built on ESMF's native mesh library is still available). ESMF unstructured Meshes have been extended to handle elements that consist of more than one polygon to allow the representation of geographically disconnected areas (e.g. the Hawaiian Islands) as a single element. The ESMF regridding capability was further extended to cover i) ESMF LocStreams, ii) first-order conservative regridding of concave quadrilateral cells, iii) non conservative regridding on Mesh elements with more than four sides, and iv) the use of great circle lines when computing 3D bilinear interpolation weights on a sphere. The ESMF Python interface ESMPy has matured and offers more complete coverage of the ESMF Grid, Mesh, and LocStream classes. It also now offers read methods that allow a Field to be filled with data from a NetCDF file. Anaconda packages are now available for easy installation of ESMPy on Linux and Darwin systems. Currently ESMF is regression tested daily on Blues with: -- gfortran with mvapich2, and mpich3 -- intel with mvapich2 and mpich2 -- nag with mpich2, mpich3, and openmpi -- pgi with mvapich2 and mpich3 On the Blues gfortran, benchmark testing is included to detect any unexpected change in the performance of the software. ESMPy is also tested on Blues with mvapich2. ESMPy is the ESMF Python Regridding inteface. ESMPy testing includes building and installing ESMF with NetCDF, building python, running unit tests, examples and regridding from files tests. On Fusion, ESMF is regression tested with: -- g95 with mvapich2 -- gfortran with mvapich2 and mpich2 -- intel mvapich2 mpich2 . The regression test includes: - building the ESMF software and installing it, - building and testing 6 applications, - building and running system tests, examples and unit tests bundled with the software. The entire test suite is run with debug and optimized settings. In addition, two versions of ESMF are regression tested, the head of the development, and a branch based on the last public release where limited development has continued. Current: undetermined amount Justification: Requested: 350000 A specific reason has been given: The ESMF regression tests are running longer than anticipated. 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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[LCRC Accounts] Project Allocation Request
by accounts＠lcrc.anl.gov 23 Jan '17

23 Jan '17

Hello, A change in allocation has been requested: Requester: ango (Anh Ngo) Project: Mullite Title: The structure of disordered Mullite studied using a ab initio hybrid reversed Monte Carlo algorithm Description: Understanding the nature of the disordered structures and physical/chemical properties of mullite is therefore an area of increasing importance and has been the focus of investigation for many decades. In this project we would like to give a complete description of the real mullite. We will use ab initio energetic cluster expansion techniques to explore all distinct interactions/mechanisms between/of Al, Si, Oxygen and vacancy in the mullite. We then integrate these effective interaction parameters to build a fully microscopic model with our new developed ab initio hybrid reversed Monte Carlo. The project will be realized by collaboration between Anh Ngo (MSD, argonne) and Peter Zapol (MSD, argonne) and Ray Osborn (MSD, Argonne). Our results obtained from ab initio hybrid reversed Monte Carlo can be directly compared to diffuse scattering data measured at APS from Osborn’s group. To obtain our goal the following calculations will be performed: (a) The initial calculations will focus on finding the ab initio cluster expansion energies (CE) for all pair, triplet and higher order interactions. (b) To find real disordered structures, in our further investigations we will use CE obtained from step 1 to perform ab initio hybrid reversed Monte Carlo. This work will plan to use the high-performance computing facilities at LCRC. The first-principles calculations will be carried out using the electronic-structure code VASP. The Blues cluster is particularly suitable for this research. In order to obtain good Cluster expansion nergies we will plan to do 200 energy optimized calculations each calculation contains 60 atoms takes approximately 3072 CPU hours (16*4*48 ). The ab initio hybrid reversed Monte Carlo calculation takes roughly 26880 CPU hours (16*10*168) we plan to run 8 of these calculations. So our total request is 200*3072 + 8*26880 = 829440. In summary, the total requested allocations for this project is 829440 CPU hours. Current: undetermined amount Justification: VASP performance on Blues is well established, we use the latest version maintained on Blues. Requested: 161280 A specific reason has been given: Dear LCRC supports, We recently submitted our paper in physical review B : *Anh T. Ngo, Raymond Osborn, Stephan Rosenkranz, Justin Wozniak, and Peter Zapol: The Incommensurate Modulation in Mullite: An ab initio Approach* In order to reply to referee reports, we plan to run 60 more calculations, each calculation will approximately take 2688 hrs. Hence, our additional request is 2688*60 = 161280 CPU hrs. Best regards, Anh Ngo 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 23 Jan '17

23 Jan '17

Hello, A change in allocation has been requested: Requester: svasquez (Silverio Vasquez) Project: ESMF Title: Earth System Modeling Framework Description: The previously released NUOPC Layer reference API was refined to provide a more object-oriented interface that better reflects the NUOPC Driver, Model, Connector, and Mediator concepts. The NUOPC Driver now allows child components to be added dynamically, supporting the implementation of more flexible applications. String labels are consistently used to identify component instances and initialize/run/finalize phases. The introduction of namespaces allows for more control over automatic field pairing, and LocStreams (a geometric type that can be used to represent a set of disconnected points) can now be transferred between components during initialize. The compliance checker has become aware of the component context and produces more useful output. Finally, some of the utility routines previously contained in the NUOPC Layer have moved into ESMF. In the area of ESMF regridding, a new application, ESMF_Regrid, was added. This command-line tool can be used to regrid a data field defined in a UGRID or GRIDSPEC format file to another field defined in a different file. The ESMF_RegridWeightGen application, which precomputes regridding weights, now supports additional options to i) allow non-conservative regridding on cell center locations in the unstructured case, ii) ignore degenerate cells, and iii) choose between different line options when regridding on a sphere. The ESMF regridding implementation now supports an option for using a first order conservative method for unstructured Meshes built on DOE's MOAB mesh library (the version built on ESMF's native mesh library is still available). ESMF unstructured Meshes have been extended to handle elements that consist of more than one polygon to allow the representation of geographically disconnected areas (e.g. the Hawaiian Islands) as a single element. The ESMF regridding capability was further extended to cover i) ESMF LocStreams, ii) first-order conservative regridding of concave quadrilateral cells, iii) non conservative regridding on Mesh elements with more than four sides, and iv) the use of great circle lines when computing 3D bilinear interpolation weights on a sphere. The ESMF Python interface ESMPy has matured and offers more complete coverage of the ESMF Grid, Mesh, and LocStream classes. It also now offers read methods that allow a Field to be filled with data from a NetCDF file. Anaconda packages are now available for easy installation of ESMPy on Linux and Darwin systems. Currently ESMF is regression tested daily on Blues with: -- gfortran with mvapich2, and mpich3 -- intel with mvapich2 and mpich2 -- nag with mpich2, mpich3, and openmpi -- pgi with mvapich2 and mpich3 On the Blues gfortran, benchmark testing is included to detect any unexpected change in the performance of the software. ESMPy is also tested on Blues with mvapich2. ESMPy is the ESMF Python Regridding inteface. ESMPy testing includes building and installing ESMF with NetCDF, building python, running unit tests, examples and regridding from files tests. On Fusion, ESMF is regression tested with: -- g95 with mvapich2 -- gfortran with mvapich2 and mpich2 -- intel mvapich2 mpich2 . The regression test includes: - building the ESMF software and installing it, - building and testing 6 applications, - building and running system tests, examples and unit tests bundled with the software. The entire test suite is run with debug and optimized settings. In addition, two versions of ESMF are regression tested, the head of the development, and a branch based on the last public release where limited development has continued. Current: undetermined amount Justification: Requested: 350000 A specific reason has been given: The ESMF regression tests are running longer than anticipated. 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 21 Jan '17

21 Jan '17

Hello, A change in allocation has been requested: Requester: linyun (Linyun Liang) Project: Meso_Nuclear Title: Gas bubble kinetics in an irradiated U-Mo using a mesoscale simulation approach Description: A mesoscale simulation approach is developed to study the gas bubble evolution kinetics in irradiated U-Mo alloy fuels. Density functional theory is first utilized to predict the defect formation energies, the Xe-U-Mo interfacial energy, and the elastic constants of U-Mo alloys, among other quantities. These obtained material properties are then incorporated into a mesoscale model to study the kinetics of gas bubbles in U-Mo under irradiation. By developing a new free energy model of Xe gas bubble based on the van der Walls equation of state, the gas bubble pressure can be estimated. The effects of vacancy and self-interstitial atom (SIA) diffusion on the gas bubble pressure will be further investigated and validated. The events employed in the simulation are the absorption and emission of a vacancy, a SIA, and an interstitial U by a single Xe bubble, while an event associated with SIA loops or substitutional U is neglected here for simplicity. We will systemat ically investigate the effect of Xe, vacancy, and SIA concentration, fission defect generation and their recombination, sink strength, grain boundaries, and elastic interaction on the growth kinetics of gas bubble. The swelling of U-Mo due to fission gas bubble will be simulated and compared to experimental observations. Our study aims to provide insight into understanding of the structural damage in irradiated U-Mo materials. In our phase field model, we have four highly non-linear, coupled partial differential equations which must be solved numerically. In the meaning time, the elastic equilibrium equation is also included in each time step, which requires to obtain the elastic solution at the equilibrium state for each time step and can significantly increase the cost of the simulation time. And also in order to avoid the partial loss of interfacial energy, we will extend our model to three dimensional system. Therefore, to effectively solve this problem, we will need about 150,000 core hours including the 6,000 core-hour to debug and test the algorithm and code and 144,000 core-hours (4 cores/node * 4 nodes * 10 hours of run time * 800 different runs) for the nucleation and growth of gas bubbles calculations. We will use our developed FFTW code to solve the problem. By using the Fusion and Blues computing resources will greatly accelerated the code development and calculations. In conclusion, the total core-hours requested for this project throughout the FY2016 will be 150,000 core-hours. Fig. 1 Simulated results of gas bubbles nucleation and growth under the irradiated U-7Mo. Current: undetermined amount Justification: Requested: 150000 A specific reason has been given: I have zero allocation hours balance. I am requesting additional 50,000 core-hours for the third quarter and 100,000 core-hours for the four 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] [LCRC Accounts] Project Request: bldg_energy_modeling
by Bair, Raymond A. 18 Jan '17

18 Jan '17

Ping. ----------------------------------------- Ray Bair Argonne National Laboratory On 1/16/17, 11:56 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 allocate 10K for this project, where 10K is the minimum for future project allocations. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 1/14/17, 8:48 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 new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Ralph T. Muehleisen Applicant's institution: ANL Applicant's division: ES Project Name: bldg_energy_modeling Project title: Building Energy Modeling Associated funding: DOE Building Technologies Office Other Systems: Science: Large scale energy modeling of buildings. Collections of hundreds to thousands of buildings of various types and vintages in dozens of locations. Project description: Resources are needed for running building energy models for estimating the energy impacts of new technologies. Hundreds of prototype buildings covering multiple building types and vintages and in many locations of the country are required. This will utilize NREL's OpenStudio, an Open Source building energy modeling package. Computed data will be post processed using Python. Industry partnership: Project URL: Requested allocation: 3000 Q1: 0 Q2: 1000 Q3: 1000 Q4: 1000 Justification: N/A Storage requirements: under 1 TB 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 _______________________________________________ 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. 18 Jan '17

18 Jan '17

I have granted and made note of this allocation. Thanks. -- John Roberts Argonne National Laboratory CELS Systems jeroberts(a)anl.gov On 1/17/17, 2:59 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: Based on the exchange with Tatyana, I suggest that we add 50,000 hours to HEIGHTS-3D. ----------------------------------------- Ray Bair Argonne National Laboratory On 1/17/17, 12:12 PM, "Tatyana Sizyuk" <tsizyuk(a)purdue.edu> wrote: Ray, I really don't understand why my allocation finished so fast. I did much more calculations during the first quarter having the same allocation. Is it possible to allocate additional hours, e.g., 50000? Thank you, Tatyana On 1/17/2017 12:29 PM, Bair, Raymond A. wrote: > Confirming that you have only 8.5K hours left in your allocation, usable through 3/30/17. > > Ray > > > ----------------------------------------- > Ray Bair > Argonne National Laboratory > > > On 1/16/17, 4:01 PM, "Tatyana Sizyuk" <tsizyuk(a)purdue.edu> wrote: > > Dear Ray, > > Thank you. I have still 95,750 hours for current quarter, right? > > Just "lcrc-qbank -q balance" showed me 8,486 core-hours balance and, > therefore, I worried about my allocation expiration. > > Sincerely, > > Tatyana > > > On 1/16/2017 2:18 PM, Bair, Raymond A. wrote: >> Dear Tatyana Sizyuk, >> >> Here are your previously approved allocations for the first 2 quarters: >> >> Q1: 95,750 any unused time expired 12/31/16 >> >> Q1: 100,000 additional time requested, unused time expired 12/31/16 >> >> Q2: 95,750 expires 3/31/17 >> >> >> >> ----------------------------------------- >> Ray Bair >> Argonne National Laboratory >> and the University of Chicago >> >> >> On 1/16/17, 12:34 PM, "Tatyana Sizyuk" <tsizyuk(a)purdue.edu> wrote: >> >> Dear Ray, >> >> Thank you for the reply. >> >> I will appreciate very much any help regarding my jobs on Blues. >> >> Unfortunately, I have left now only 8,500 core-hours and I don't >> understand why it's so small allocation since I did not use Blues much >> during January. >> >> May be, my allocation for the second quarter of FY was reduced? >> >> Thank you again, >> >> Tatyana Sizyuk >> >> >> On 1/16/2017 1:09 PM, Bair, Raymond A. wrote: >> > Dear Tatyana Sizyuk, >> > >> > If your jobs are slow at starting, it might be helpful to discuss your computational campaign to see if there are ways to reshape the jobs for quicker turnaround. Fusion is going away January 31st, and we expect Blues to be (more) oversubscribed from February to June, while Bebop is being commissioned. >> > >> > Regards, >> > >> > Ray >> > >> > ----------------------------------------- >> > Ray Bair >> > Argonne National Laboratory >> > >> > >> > On 1/14/17, 2:50 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: 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: >> > Unfortunately, we could not use additional allocated time which we requested in December due to high workload of Blues at this time. >> > We would like to ask more core-hours for our project now to simulate and optimize calculations of multi-laser systems. >> > Sincerely, >> > Tatyana Sizyuk >> > >> > 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 Bair, Raymond A. 17 Jan '17

17 Jan '17

Based on the exchange with Tatyana, I suggest that we add 50,000 hours to HEIGHTS-3D. ----------------------------------------- Ray Bair Argonne National Laboratory On 1/17/17, 12:12 PM, "Tatyana Sizyuk" <tsizyuk(a)purdue.edu> wrote: Ray, I really don't understand why my allocation finished so fast. I did much more calculations during the first quarter having the same allocation. Is it possible to allocate additional hours, e.g., 50000? Thank you, Tatyana On 1/17/2017 12:29 PM, Bair, Raymond A. wrote: > Confirming that you have only 8.5K hours left in your allocation, usable through 3/30/17. > > Ray > > > ----------------------------------------- > Ray Bair > Argonne National Laboratory > > > On 1/16/17, 4:01 PM, "Tatyana Sizyuk" <tsizyuk(a)purdue.edu> wrote: > > Dear Ray, > > Thank you. I have still 95,750 hours for current quarter, right? > > Just "lcrc-qbank -q balance" showed me 8,486 core-hours balance and, > therefore, I worried about my allocation expiration. > > Sincerely, > > Tatyana > > > On 1/16/2017 2:18 PM, Bair, Raymond A. wrote: >> Dear Tatyana Sizyuk, >> >> Here are your previously approved allocations for the first 2 quarters: >> >> Q1: 95,750 any unused time expired 12/31/16 >> >> Q1: 100,000 additional time requested, unused time expired 12/31/16 >> >> Q2: 95,750 expires 3/31/17 >> >> >> >> ----------------------------------------- >> Ray Bair >> Argonne National Laboratory >> and the University of Chicago >> >> >> On 1/16/17, 12:34 PM, "Tatyana Sizyuk" <tsizyuk(a)purdue.edu> wrote: >> >> Dear Ray, >> >> Thank you for the reply. >> >> I will appreciate very much any help regarding my jobs on Blues. >> >> Unfortunately, I have left now only 8,500 core-hours and I don't >> understand why it's so small allocation since I did not use Blues much >> during January. >> >> May be, my allocation for the second quarter of FY was reduced? >> >> Thank you again, >> >> Tatyana Sizyuk >> >> >> On 1/16/2017 1:09 PM, Bair, Raymond A. wrote: >> > Dear Tatyana Sizyuk, >> > >> > If your jobs are slow at starting, it might be helpful to discuss your computational campaign to see if there are ways to reshape the jobs for quicker turnaround. Fusion is going away January 31st, and we expect Blues to be (more) oversubscribed from February to June, while Bebop is being commissioned. >> > >> > Regards, >> > >> > Ray >> > >> > ----------------------------------------- >> > Ray Bair >> > Argonne National Laboratory >> > >> > >> > On 1/14/17, 2:50 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: 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: >> > Unfortunately, we could not use additional allocated time which we requested in December due to high workload of Blues at this time. >> > We would like to ask more core-hours for our project now to simulate and optimize calculations of multi-laser systems. >> > Sincerely, >> > Tatyana Sizyuk >> > >> > 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 Request: bldg_energy_modeling
by Bair, Raymond A. 16 Jan '17

16 Jan '17

I recommend that we allocate 10K for this project, where 10K is the minimum for future project allocations. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 1/14/17, 8:48 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 new project on the LCRC cluster has been requested. Please forward the information on to the LCRC Allocation sub-committee. Applicant's name: Ralph T. Muehleisen Applicant's institution: ANL Applicant's division: ES Project Name: bldg_energy_modeling Project title: Building Energy Modeling Associated funding: DOE Building Technologies Office Other Systems: Science: Large scale energy modeling of buildings. Collections of hundreds to thousands of buildings of various types and vintages in dozens of locations. Project description: Resources are needed for running building energy models for estimating the energy impacts of new technologies. Hundreds of prototype buildings covering multiple building types and vintages and in many locations of the country are required. This will utilize NREL's OpenStudio, an Open Source building energy modeling package. Computed data will be post processed using Python. Industry partnership: Project URL: Requested allocation: 3000 Q1: 0 Q2: 1000 Q3: 1000 Q4: 1000 Justification: N/A Storage requirements: under 1 TB 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: bldg_energy_modeling
by accounts＠lcrc.anl.gov 14 Jan '17

14 Jan '17

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: Ralph T. Muehleisen Applicant's institution: ANL Applicant's division: ES Project Name: bldg_energy_modeling Project title: Building Energy Modeling Associated funding: DOE Building Technologies Office Other Systems: Science: Large scale energy modeling of buildings. Collections of hundreds to thousands of buildings of various types and vintages in dozens of locations. Project description: Resources are needed for running building energy models for estimating the energy impacts of new technologies. Hundreds of prototype buildings covering multiple building types and vintages and in many locations of the country are required. This will utilize NREL's OpenStudio, an Open Source building energy modeling package. Computed data will be post processed using Python. Industry partnership: Project URL: Requested allocation: 3000 Q1: 0 Q2: 1000 Q3: 1000 Q4: 1000 Justification: N/A Storage requirements: under 1 TB 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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