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

Re: [allocations-admins] [LCRC Accounts] Project Request: StructJuMP
by Bair, Raymond A. 29 Apr '16

29 Apr '16

This request looks OK. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 4/29/16, 12:40 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: Cosmin Petra >Applicant's institution: ANL > Applicant's division: MCS > Project Name: StructJuMP > Project title: Parallel modelling of stochastic power grid in Julia > Associated funding: ASCR,OE, GMLC > Other Systems: > Science: The objective of this project is to develop and test a parallel, memory-distributed, modeling framework for stochastic optimization problems arising in the optimization of power grid models under uncertainty. We plan to prove scalability and real-time capabilities that make the framework feasible to existing operational practices in power grid insdustry. > Project description: Our previous parallel runs showed that the solver scales very well (>90% parallel efficiency on Intrepid, Mira and Fusion) but determined that the instantiation of the model is far beyond this efficiency. To remove this bottleneck we have moved from AMPL (who is an outdated modeling language for mathematical optimization with virtually no parallel capabilities) to Julia, which has been used by collaborators from MIT to develop JuMP, a modeling framework for optimization. Collaborators from MIT have build a JuMP extension for stochastic optimization problems. > >The parallelism in the instantiation of such problems comes from the particular structure these problem have (which has been very successfully exploited by the solver, as we mentioned above). Preliminary results on workstations shows that the efficiency of the parallel instantiation is even better than the efficiency of the solver. We expect this to scale up to the full Blues/Fusion. > >We expect a few full machine runs and other smaller runs that are needed to investigate scaling efficiency. Since we want to show a full integration with the solver PIPS, we will need to solve these problems to optimality. For this we expect to use around 150 thousand core hours in the summer of 2016. I expect the project will have 3 members (collaborators + summer student(s)). > Industry partnership: > Project URL: http://github.com/fqiang/StructJuMP.jl > Requested allocation: 150000 > Q1: 0 > Q2: 0 > Q3: 50000 > Q4: 100000 > Justification: > Storage requirements: 1TB will be sufficient > > >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

1 0

[LCRC Accounts] Project Request: StructJuMP
by accounts＠lcrc.anl.gov 29 Apr '16

29 Apr '16

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: Cosmin Petra Applicant's institution: ANL Applicant's division: MCS Project Name: StructJuMP Project title: Parallel modelling of stochastic power grid in Julia Associated funding: ASCR,OE, GMLC Other Systems: Science: The objective of this project is to develop and test a parallel, memory-distributed, modeling framework for stochastic optimization problems arising in the optimization of power grid models under uncertainty. We plan to prove scalability and real-time capabilities that make the framework feasible to existing operational practices in power grid insdustry. Project description: Our previous parallel runs showed that the solver scales very well (>90% parallel efficiency on Intrepid, Mira and Fusion) but determined that the instantiation of the model is far beyond this efficiency. To remove this bottleneck we have moved from AMPL (who is an outdated modeling language for mathematical optimization with virtually no parallel capabilities) to Julia, which has been used by collaborators from MIT to develop JuMP, a modeling framework for optimization. Collaborators from MIT have build a JuMP extension for stochastic optimization problems. The parallelism in the instantiation of such problems comes from the particular structure these problem have (which has been very successfully exploited by the solver, as we mentioned above). Preliminary results on workstations shows that the efficiency of the parallel instantiation is even better than the efficiency of the solver. We expect this to scale up to the full Blues/Fusion. We expect a few full machine runs and other smaller runs that are needed to investigate scaling efficiency. Since we want to show a full integration with the solver PIPS, we will need to solve these problems to optimality. For this we expect to use around 150 thousand core hours in the summer of 2016. I expect the project will have 3 members (collaborators + summer student(s)). Industry partnership: Project URL: http://github.com/fqiang/StructJuMP.jl Requested allocation: 150000 Q1: 0 Q2: 0 Q3: 50000 Q4: 100000 Justification: Storage requirements: 1TB will be sufficient 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

1 0

Re: [allocations-admins] Project Request: GAS_injection
by John Blaas 25 Apr '16

25 Apr '16

Project created and 200k Granted for Q3. JB On Thu, Apr 21, 2016 at 2:58 PM, Bair, Raymond A. <rbair(a)anl.gov> wrote: > I suggest that we approve GAS_injection for 200K in Q3 and le the allocations committee deal qwith Q4. > > Ray > > ----------------------------------------- > Ray Bair > Argonne National Laboratory > > > > > > > > > > On 4/21/16, 2:24 PM, "Bartolucci, Lorenzo" <lbartolucci(a)anl.gov> wrote: > >>Hi Ray. >> >>The project is not part of a CRADA or partnership with a company, but a collaboration with the University of Rome Tor Vergata and the results will be published in the literature. >> >>Best Regards, >> >>Lorenzo >> >>-----Original Message----- >>From: Bair, Raymond A. >>Sent: Thursday, April 21, 2016 1:47 PM >>To: Bartolucci, Lorenzo <lbartolucci(a)anl.gov> >>Subject: Re: Project Request: GAS_injection >> >>Dear Lorenzo, >> >>Thank you for the detailed project info. Is this project part of a CRADA or partnership with a company? Will the results be published in the open literature? >> >>Regards, >> >>Ray >> >>----------------------------------------- >>Ray Bair >>Argonne National Laboratory >> >> >> >> >> >> >> >> >>On 4/20/16, 1:13 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: Lorenzo Bartolucci Applicant's institution: >>>ANL >>> Applicant's division: ES >>> Project Name: GAS_injection >>> Project title: High-Pressure Gaseous Fuel Injection Research – in-nozzle flow and jet evolution >>> Associated funding: >>> Other Systems: >>> Science: Current state of art of injection system provides several works about the in-nozzle analysis of liquid fuel injectors but a lack in knowledge is present in the gaseous fuel injector in-nozzle flow. >>>The main goal of this project is to deeply understand the phenomenon occurring into the injector during the transients – both opening and closure – and how those are related with the following jet evolution, in order to obtain detailed information that can be used as input for ICE simulations. >>>The analysis will be carried out in collaboration with the Argonne x-ray diagnostic group and the University of Rome Tor Vergata. >>> >>> Project description: This project focuses on investigating the in-nozzle flow for a gaseous inward opening injector and the consequently under-expanded jet evolution. This is aimed to provide a better comprehension of the local phenomenon and how those affect the typical behavior of the under-expanded gaseous jet (such as mach disk location and width, local thermo-fluid-dynamics properties and mixing with the surrounding mixture). The final purpose is to obtain detail information that ca be used as input for ICE simulation where, such a deeply analysis is not affordable run-time and to overcome the limits of the information provided by experimental analysis which often require some assumptions. >>>It will be particularly focused also on the mesh influence on the quality of the numerical results, to provide some guidelines to obtain a reliable representation of the gaseous jet evolution and mixing (which will be evaluated by a comparison with x-ray radiography data). >>>The project can be divided in two different steps: >>>- the calibration of the numerical inputs (mesh strategies, boundary conditions, numerical setting) both for steady-state and transient analysis; >>>- a deeply parametric study changing the pressure ratio, looking at the influence of particular detailed aspects of the injector provided by the x-ray tomography (such as non-symmetries, roughness, etc), and some preliminary in cylinder cold flow injection analysis. >>>Simulations will be performed with the commercial code CONVERGE and computational grids of the order of 10-20 millions of cells which will require the use of 64-144 cores depending on the specific test case. >>>The project has one member (barlo) working full-time on it, with 1-2 cases running regularly. >>>With an average estimate of 128cores per run and 1 case the expected amount of core-hrs needed for this project for each quarter is 128 cores x 24 hrs x 1 run x 90 days = 276480. Considering some queue time our request is for 490000 hrs total, equally distributed by Q3 and Q4. >>> Industry partnership: >>> Project URL: >>> Requested allocation: 490000 >>> Q1: 0 >>> Q2: 0 >>> Q3: 245000 >>> Q4: 245000 >>> Justification: >>> Storage requirements: Due to the big size of the single case data we kindly ask for a project folder size of about 2TB. >>> >>> >>>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

1 0

Re: [allocations-admins] Project Request: ignition-plasma
by John Blaas 25 Apr '16

25 Apr '16

Project created and 200k Granted for Q3. JB On Thu, Apr 21, 2016 at 3:09 PM, Bair, Raymond A. <rbair(a)anl.gov> wrote: > I suggest starting this project with 200k for Q3 and letting the allocations committee decide on Q4. > > Ray > > ----------------------------------------- > Ray Bair > Argonne National Laboratory > > > > > > > > > On 4/21/16, 3:07 PM, "Zhang, Anqi" <anqiz(a)anl.gov> wrote: > >>Ray, >> >>Thanks for the email. >>Regarding the questions: >>1) No, this project is neither part of a CRADA nor partnership with a company; >>2) Yes, the results will be published in open literature. >> >>Please let me know if further actions are needed. >>Regards, >>Anqi >> >>-----Original Message----- >>From: Bair, Raymond A. >>Sent: Thursday, April 21, 2016 1:50 PM >>To: Zhang, Anqi <anqiz(a)anl.gov> >>Subject: Re: Project Request: ignition-plasma >> >>Dear Anqi Zhang, >> >>Thank you for the detailed project info. Is this project part of a CRADA or partnership with a company? Will the results be published in the open literature? >> >>Regards, >> >>Ray >> >>----------------------------------------- >>Ray Bair >>Argonne National Laboratory >> >> >> >> >> >> >> >> >> >> >> >>On 4/20/16, 1:56 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: Anqi Zhang >>>Applicant's institution: ANL >>> Applicant's division: ES >>> Project Name: ignition-plasma >>> Project title: Advanced Ignition Model Development >>> Associated funding: DOE Vehicle Technologies Program Office >>> Other Systems: >>> Science: This project is dedicated to provide detailed descriptions of the complex ignition process involving thermodynamics, chemistry, fluid mechanics, and plasma science. Comprehensive and high-fidelity modeling of fuel-air mixture ignition by external energy source has become crucial for understanding the limit of high-efficiency internal combustion engine operations under lean and dilute conditions. This project will focus on characterizing the physical inputs of various ignition systems (conventional spark and non-thermal plasma systems) and assessing the quality of early flame kernel in terms of its capability to propagate. >>> Project 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 >>>The numerical investigations will be carried out in the Eulerian domain, and the plasma will be simulated using one or both of the following approaches: 1) imposing initial chemical and thermodynamic conditions, and 2) expanding governing equations to account for electro-magnetic interactions. Experimental measurements of x-ray radiography (APS at Argonne National Laboratory), calorimetry (Sandia National Laboratories), and TALIF (two-photon laser induced fluorescence, Sandia National Laboratories) are available for model validation. >>>Simulations will be performed using CONVERGE CFD code. 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, I would also use some of the gpu queues for 3D numerical results processing to save the time transferring large files to local machines. Considering the queue time, I would request 225,000 core-hrs per quarter. >>> Industry partnership: >>> Project URL: >>> Requested allocation: 450000 >>> Q1: 0 >>> Q2: 0 >>> Q3: 225000 >>> Q4: 225000 >>> Justification: >>> Storage requirements: I would like to request 3TB of disk storage for this project. The analysis of the simulation results highly relies on detailed post-processing of 3D numerical results. While comprehensive analysis often requires revisiting of multiple heavy datasets of high temporal resolution, I would like to keep large 3D output files for at least one month. A 3.5 million cell case could yield a 3D output file of 1GB at each time step, and it is desired to keep at least 100 time steps for such cases. Assuming on average one case to keep per day, the needed storage would be 1GB x 100 time steps x 1 case x 30 days = 3TB. >>> >>> >>>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

1 0

Re: [allocations-admins] Project Request: ignition-plasma
by Bair, Raymond A. 21 Apr '16

21 Apr '16

I suggest starting this project with 200k for Q3 and letting the allocations committee decide on Q4. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 4/21/16, 3:07 PM, "Zhang, Anqi" <anqiz(a)anl.gov> wrote: >Ray, > >Thanks for the email. >Regarding the questions: >1) No, this project is neither part of a CRADA nor partnership with a company; >2) Yes, the results will be published in open literature. > >Please let me know if further actions are needed. >Regards, >Anqi > >-----Original Message----- >From: Bair, Raymond A. >Sent: Thursday, April 21, 2016 1:50 PM >To: Zhang, Anqi <anqiz(a)anl.gov> >Subject: Re: Project Request: ignition-plasma > >Dear Anqi Zhang, > >Thank you for the detailed project info. Is this project part of a CRADA or partnership with a company? Will the results be published in the open literature? > >Regards, > >Ray > >----------------------------------------- >Ray Bair >Argonne National Laboratory > > > > > > > > > > > >On 4/20/16, 1:56 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: Anqi Zhang >>Applicant's institution: ANL >> Applicant's division: ES >> Project Name: ignition-plasma >> Project title: Advanced Ignition Model Development >> Associated funding: DOE Vehicle Technologies Program Office >> Other Systems: >> Science: This project is dedicated to provide detailed descriptions of the complex ignition process involving thermodynamics, chemistry, fluid mechanics, and plasma science. Comprehensive and high-fidelity modeling of fuel-air mixture ignition by external energy source has become crucial for understanding the limit of high-efficiency internal combustion engine operations under lean and dilute conditions. This project will focus on characterizing the physical inputs of various ignition systems (conventional spark and non-thermal plasma systems) and assessing the quality of early flame kernel in terms of its capability to propagate. >> Project 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 >>The numerical investigations will be carried out in the Eulerian domain, and the plasma will be simulated using one or both of the following approaches: 1) imposing initial chemical and thermodynamic conditions, and 2) expanding governing equations to account for electro-magnetic interactions. Experimental measurements of x-ray radiography (APS at Argonne National Laboratory), calorimetry (Sandia National Laboratories), and TALIF (two-photon laser induced fluorescence, Sandia National Laboratories) are available for model validation. >>Simulations will be performed using CONVERGE CFD code. 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, I would also use some of the gpu queues for 3D numerical results processing to save the time transferring large files to local machines. Considering the queue time, I would request 225,000 core-hrs per quarter. >> Industry partnership: >> Project URL: >> Requested allocation: 450000 >> Q1: 0 >> Q2: 0 >> Q3: 225000 >> Q4: 225000 >> Justification: >> Storage requirements: I would like to request 3TB of disk storage for this project. The analysis of the simulation results highly relies on detailed post-processing of 3D numerical results. While comprehensive analysis often requires revisiting of multiple heavy datasets of high temporal resolution, I would like to keep large 3D output files for at least one month. A 3.5 million cell case could yield a 3D output file of 1GB at each time step, and it is desired to keep at least 100 time steps for such cases. Assuming on average one case to keep per day, the needed storage would be 1GB x 100 time steps x 1 case x 30 days = 3TB. >> >> >>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

1 0

Re: [allocations-admins] Project Request: GAS_injection
by Bair, Raymond A. 21 Apr '16

21 Apr '16

I suggest that we approve GAS_injection for 200K in Q3 and le the allocations committee deal qwith Q4. Ray ----------------------------------------- Ray Bair Argonne National Laboratory On 4/21/16, 2:24 PM, "Bartolucci, Lorenzo" <lbartolucci(a)anl.gov> wrote: >Hi Ray. > >The project is not part of a CRADA or partnership with a company, but a collaboration with the University of Rome Tor Vergata and the results will be published in the literature. > >Best Regards, > >Lorenzo > >-----Original Message----- >From: Bair, Raymond A. >Sent: Thursday, April 21, 2016 1:47 PM >To: Bartolucci, Lorenzo <lbartolucci(a)anl.gov> >Subject: Re: Project Request: GAS_injection > >Dear Lorenzo, > >Thank you for the detailed project info. Is this project part of a CRADA or partnership with a company? Will the results be published in the open literature? > >Regards, > >Ray > >----------------------------------------- >Ray Bair >Argonne National Laboratory > > > > > > > > >On 4/20/16, 1:13 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: Lorenzo Bartolucci Applicant's institution: >>ANL >> Applicant's division: ES >> Project Name: GAS_injection >> Project title: High-Pressure Gaseous Fuel Injection Research – in-nozzle flow and jet evolution >> Associated funding: >> Other Systems: >> Science: Current state of art of injection system provides several works about the in-nozzle analysis of liquid fuel injectors but a lack in knowledge is present in the gaseous fuel injector in-nozzle flow. >>The main goal of this project is to deeply understand the phenomenon occurring into the injector during the transients – both opening and closure – and how those are related with the following jet evolution, in order to obtain detailed information that can be used as input for ICE simulations. >>The analysis will be carried out in collaboration with the Argonne x-ray diagnostic group and the University of Rome Tor Vergata. >> >> Project description: This project focuses on investigating the in-nozzle flow for a gaseous inward opening injector and the consequently under-expanded jet evolution. This is aimed to provide a better comprehension of the local phenomenon and how those affect the typical behavior of the under-expanded gaseous jet (such as mach disk location and width, local thermo-fluid-dynamics properties and mixing with the surrounding mixture). The final purpose is to obtain detail information that ca be used as input for ICE simulation where, such a deeply analysis is not affordable run-time and to overcome the limits of the information provided by experimental analysis which often require some assumptions. >>It will be particularly focused also on the mesh influence on the quality of the numerical results, to provide some guidelines to obtain a reliable representation of the gaseous jet evolution and mixing (which will be evaluated by a comparison with x-ray radiography data). >>The project can be divided in two different steps: >>- the calibration of the numerical inputs (mesh strategies, boundary conditions, numerical setting) both for steady-state and transient analysis; >>- a deeply parametric study changing the pressure ratio, looking at the influence of particular detailed aspects of the injector provided by the x-ray tomography (such as non-symmetries, roughness, etc), and some preliminary in cylinder cold flow injection analysis. >>Simulations will be performed with the commercial code CONVERGE and computational grids of the order of 10-20 millions of cells which will require the use of 64-144 cores depending on the specific test case. >>The project has one member (barlo) working full-time on it, with 1-2 cases running regularly. >>With an average estimate of 128cores per run and 1 case the expected amount of core-hrs needed for this project for each quarter is 128 cores x 24 hrs x 1 run x 90 days = 276480. Considering some queue time our request is for 490000 hrs total, equally distributed by Q3 and Q4. >> Industry partnership: >> Project URL: >> Requested allocation: 490000 >> Q1: 0 >> Q2: 0 >> Q3: 245000 >> Q4: 245000 >> Justification: >> Storage requirements: Due to the big size of the single case data we kindly ask for a project folder size of about 2TB. >> >> >>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

1 0

[LCRC Accounts] Project Request: ignition-plasma
by accounts＠lcrc.anl.gov 20 Apr '16

20 Apr '16

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: Anqi Zhang Applicant's institution: ANL Applicant's division: ES Project Name: ignition-plasma Project title: Advanced Ignition Model Development Associated funding: DOE Vehicle Technologies Program Office Other Systems: Science: This project is dedicated to provide detailed descriptions of the complex ignition process involving thermodynamics, chemistry, fluid mechanics, and plasma science. Comprehensive and high-fidelity modeling of fuel-air mixture ignition by external energy source has become crucial for understanding the limit of high-efficiency internal combustion engine operations under lean and dilute conditions. This project will focus on characterizing the physical inputs of various ignition systems (conventional spark and non-thermal plasma systems) and assessing the quality of early flame kernel in terms of its capability to propagate. Project 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 The numerical investigations will be carried out in the Eulerian domain, and the plasma will be simulated using one or both of the following approaches: 1) imposing initial chemical and thermodynamic conditions, and 2) expanding governing equations to account for electro-magnetic interactions. Experimental measurements of x-ray radiography (APS at Argonne National Laboratory), calorimetry (Sandia National Laboratories), and TALIF (two-photon laser induced fluorescence, Sandia National Laboratories) are available for model validation. Simulations will be performed using CONVERGE CFD code. 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, I would also use some of the gpu queues for 3D numerical results processing to save the time transferring large files to local machines. Considering the queue time, I would request 225,000 core-hrs per quarter. Industry partnership: Project URL: Requested allocation: 450000 Q1: 0 Q2: 0 Q3: 225000 Q4: 225000 Justification: Storage requirements: I would like to request 3TB of disk storage for this project. The analysis of the simulation results highly relies on detailed post-processing of 3D numerical results. While comprehensive analysis often requires revisiting of multiple heavy datasets of high temporal resolution, I would like to keep large 3D output files for at least one month. A 3.5 million cell case could yield a 3D output file of 1GB at each time step, and it is desired to keep at least 100 time steps for such cases. Assuming on average one case to keep per day, the needed storage would be 1GB x 100 time steps x 1 case x 30 days = 3TB. 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

1 0

[LCRC Accounts] Project Request: GAS_injection
by accounts＠lcrc.anl.gov 20 Apr '16

20 Apr '16

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: Lorenzo Bartolucci Applicant's institution: ANL Applicant's division: ES Project Name: GAS_injection Project title: High-Pressure Gaseous Fuel Injection Research – in-nozzle flow and jet evolution Associated funding: Other Systems: Science: Current state of art of injection system provides several works about the in-nozzle analysis of liquid fuel injectors but a lack in knowledge is present in the gaseous fuel injector in-nozzle flow. The main goal of this project is to deeply understand the phenomenon occurring into the injector during the transients – both opening and closure – and how those are related with the following jet evolution, in order to obtain detailed information that can be used as input for ICE simulations. The analysis will be carried out in collaboration with the Argonne x-ray diagnostic group and the University of Rome Tor Vergata. Project description: This project focuses on investigating the in-nozzle flow for a gaseous inward opening injector and the consequently under-expanded jet evolution. This is aimed to provide a better comprehension of the local phenomenon and how those affect the typical behavior of the under-expanded gaseous jet (such as mach disk location and width, local thermo-fluid-dynamics properties and mixing with the surrounding mixture). The final purpose is to obtain detail information that ca be used as input for ICE simulation where, such a deeply analysis is not affordable run-time and to overcome the limits of the information provided by experimental analysis which often require some assumptions. It will be particularly focused also on the mesh influence on the quality of the numerical results, to provide some guidelines to obtain a reliable representation of the gaseous jet evolution and mixing (which will be evaluated by a comparison with x-ray radiography data). The project can be divided in two different steps: - the calibration of the numerical inputs (mesh strategies, boundary conditions, numerical setting) both for steady-state and transient analysis; - a deeply parametric study changing the pressure ratio, looking at the influence of particular detailed aspects of the injector provided by the x-ray tomography (such as non-symmetries, roughness, etc), and some preliminary in cylinder cold flow injection analysis. Simulations will be performed with the commercial code CONVERGE and computational grids of the order of 10-20 millions of cells which will require the use of 64-144 cores depending on the specific test case. The project has one member (barlo) working full-time on it, with 1-2 cases running regularly. With an average estimate of 128cores per run and 1 case the expected amount of core-hrs needed for this project for each quarter is 128 cores x 24 hrs x 1 run x 90 days = 276480. Considering some queue time our request is for 490000 hrs total, equally distributed by Q3 and Q4. Industry partnership: Project URL: Requested allocation: 490000 Q1: 0 Q2: 0 Q3: 245000 Q4: 245000 Justification: Storage requirements: Due to the big size of the single case data we kindly ask for a project folder size of about 2TB. 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

1 0

Re: [allocations-admins] FW: Project Request: PerovPV
by John Blaas 14 Apr '16

14 Apr '16

PerovPV created and 200k assigned for the remainder of Q3. JB On Thu, Apr 14, 2016 at 10:01 AM, Bair, Raymond A. <rbair(a)anl.gov> wrote: > I suggest that we approve and proceed with 200K for Q3 > > Ray > > > > > On 4/13/16, 4:02 PM, "Maria K Chan" <mchan(a)anl.gov> wrote: > >>Hi Ray, >> >>200k would be sufficient until the next quarter meeting. Thank you very >>much! >> >>best, >>Maria >> >>On 4/13/16 4:01 PM, Bair, Raymond A. wrote: >>> Hi Maria, >>> >>> The LCRC staff can get you going quickly with 200K. Would that be enough for a while? For the full 250K this quarter we need to poll the allocations committee by email. They meet quarterly, so next quarter will be rolled in to their next meeting. >>> >>> Regards, >>> >>> Ray >>> >>> >>> ----------------------------------------- >>> Ray Bair >>> Argonne National Laboratory >>> and the University of Chicago >>> >>> >>> >>> >>> >>> >>> >>> >>> >>> On 4/12/16, 11:55 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 new project on the LCRC cluster has been requested. Please forward >>>> the information on to the LCRC Allocation sub-committee. >>>> >>>> Applicant's name: Maria Chan >>>> Applicant's institution: ANL >>>> Applicant's division: NST >>>> Project Name: PerovPV >>>> Project title: Designing intermediate band hybrid perovskite solar cells >>>> Associated funding: LDRD >>>> Other Systems: None for this project >>>> Science: Intermediate band solar cells allow the absorption of photons at lower energies than the band gap, which are usually wasted. Hybrid perovskites such as methylammonium lead halides are promising new solar cell materials. The goal of this project is to screen for dopants which will produce an intermediate band in various perovskite solar cell materials, using density functional theory calculations. >>>> Project description: We will use DFT calculations to evaluate the density of states of doped hybrid perovskites (ABX3). Different combinations of cation dopants on A and B sites will be evaluated, and the anions X will be Cl and Br. These dopant calculations will require a supercell with about 100 atoms, relaxations with volume changes, and static calculations to obtain the density of states. The dopant screening will amount to 200 calculations of 2000 core-hours each. For promising dopants, spin orbit coupling will be included in the DFT calculations, to confirm the desirability. This will amount to 10 calculations of 5000 core-hours each. The total request is 200*2000 + 10*5000 = 450 000. >>>> >>>> Using the projector-augmented wave method, only valence electrons will be included which reduces computational costs. We will use well-established DFT codes VASP, which use a plane wave basis set and real space grids respectively. For large systems such as nanostructures, VASP has been tested on Fusion for computation involving systems with up to 7000 electrons. For routine calculations, hard scaling efficiency of 70%-80% has been demonstrated for 64 to 128 cores compared to 8 cores, thus enabling efficient calculations of large numbers of configurations. >>>> >>>> >>>> Industry partnership: >>>> Project URL: >>>> Requested allocation: 450000 >>>> Q1: 0 >>>> Q2: 0 >>>> Q3: 250000 >>>> Q4: 200000 >>>> 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 >> >>-- >>Assistant Scientist >>Center for Nanoscale Materials >>Argonne National Laboratory >>Web: http://www.anl.gov/cnm/person/maria-k-y-chan >>Phone: 1-630-252-4811 >> > _______________________________________________ > allocations-admins mailing list > allocations-admins(a)lcrc.anl.gov > https://lists.lcrc.anl.gov/mailman/listinfo/allocations-admins

1 0

FW: Project Request: PerovPV
by Bair, Raymond A. 14 Apr '16

14 Apr '16

I suggest that we approve and proceed with 200K for Q3 Ray On 4/13/16, 4:02 PM, "Maria K Chan" <mchan(a)anl.gov> wrote: >Hi Ray, > >200k would be sufficient until the next quarter meeting. Thank you very >much! > >best, >Maria > >On 4/13/16 4:01 PM, Bair, Raymond A. wrote: >> Hi Maria, >> >> The LCRC staff can get you going quickly with 200K. Would that be enough for a while? For the full 250K this quarter we need to poll the allocations committee by email. They meet quarterly, so next quarter will be rolled in to their next meeting. >> >> Regards, >> >> Ray >> >> >> ----------------------------------------- >> Ray Bair >> Argonne National Laboratory >> and the University of Chicago >> >> >> >> >> >> >> >> >> >> On 4/12/16, 11:55 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 new project on the LCRC cluster has been requested. Please forward >>> the information on to the LCRC Allocation sub-committee. >>> >>> Applicant's name: Maria Chan >>> Applicant's institution: ANL >>> Applicant's division: NST >>> Project Name: PerovPV >>> Project title: Designing intermediate band hybrid perovskite solar cells >>> Associated funding: LDRD >>> Other Systems: None for this project >>> Science: Intermediate band solar cells allow the absorption of photons at lower energies than the band gap, which are usually wasted. Hybrid perovskites such as methylammonium lead halides are promising new solar cell materials. The goal of this project is to screen for dopants which will produce an intermediate band in various perovskite solar cell materials, using density functional theory calculations. >>> Project description: We will use DFT calculations to evaluate the density of states of doped hybrid perovskites (ABX3). Different combinations of cation dopants on A and B sites will be evaluated, and the anions X will be Cl and Br. These dopant calculations will require a supercell with about 100 atoms, relaxations with volume changes, and static calculations to obtain the density of states. The dopant screening will amount to 200 calculations of 2000 core-hours each. For promising dopants, spin orbit coupling will be included in the DFT calculations, to confirm the desirability. This will amount to 10 calculations of 5000 core-hours each. The total request is 200*2000 + 10*5000 = 450 000. >>> >>> Using the projector-augmented wave method, only valence electrons will be included which reduces computational costs. We will use well-established DFT codes VASP, which use a plane wave basis set and real space grids respectively. For large systems such as nanostructures, VASP has been tested on Fusion for computation involving systems with up to 7000 electrons. For routine calculations, hard scaling efficiency of 70%-80% has been demonstrated for 64 to 128 cores compared to 8 cores, thus enabling efficient calculations of large numbers of configurations. >>> >>> >>> Industry partnership: >>> Project URL: >>> Requested allocation: 450000 >>> Q1: 0 >>> Q2: 0 >>> Q3: 250000 >>> Q4: 200000 >>> 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 > >-- >Assistant Scientist >Center for Nanoscale Materials >Argonne National Laboratory >Web: http://www.anl.gov/cnm/person/maria-k-y-chan >Phone: 1-630-252-4811 >

1 0