---
_id: '53663'
abstract:
- lang: eng
  text: 'Noctua 2 is a supercomputer operated at the Paderborn Center for Parallel
    Computing (PC2) at Paderborn University in Germany. Noctua 2 was inaugurated in
    2022 and is an Atos BullSequana XH2000 system. It consists mainly of three node
    types: 1) CPU Compute nodes with AMD EPYC processors in different main memory
    configurations, 2) GPU nodes with NVIDIA A100 GPUs, and 3) FPGA nodes with Xilinx
    Alveo U280 and Intel Stratix 10 FPGA cards. While CPUs and GPUs are known off-the-shelf
    components in HPC systems, the operation of a large number of FPGA cards from
    different vendors and a dedicated FPGA-to-FPGA network are unique characteristics
    of Noctua 2. This paper describes in detail the overall setup of Noctua 2 and
    gives insights into the operation of the cluster from a hardware, software and
    facility perspective.'
article_type: original
author:
- first_name: Carsten
  full_name: Bauer, Carsten
  id: '90082'
  last_name: Bauer
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Michael
  full_name: Lass, Michael
  id: '24135'
  last_name: Lass
  orcid: 0000-0002-5708-7632
- first_name: Lukas
  full_name: Mazur, Lukas
  id: '90492'
  last_name: Mazur
  orcid: ' 0000-0001-6304-7082'
- first_name: Marius
  full_name: Meyer, Marius
  id: '40778'
  last_name: Meyer
- first_name: Holger
  full_name: Nitsche, Holger
  id: '15272'
  last_name: Nitsche
- first_name: Heinrich
  full_name: Riebler, Heinrich
  id: '8961'
  last_name: Riebler
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-5397
- first_name: Michael
  full_name: Schwarz, Michael
  id: '5312'
  last_name: Schwarz
- first_name: Nils
  full_name: Winnwa, Nils
  id: '61189'
  last_name: Winnwa
- first_name: Alex
  full_name: Wiens, Alex
  id: '23522'
  last_name: Wiens
  orcid: 0000-0003-1764-9773
- first_name: Xin
  full_name: Wu, Xin
  id: '77439'
  last_name: Wu
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Jens
  full_name: Simon, Jens
  id: '15273'
  last_name: Simon
citation:
  ama: Bauer C, Kenter T, Lass M, et al. Noctua 2 Supercomputer. <i>Journal of large-scale
    research facilities</i>. 2024;9. doi:<a href="https://doi.org/10.17815/jlsrf-8-187
    ">10.17815/jlsrf-8-187 </a>
  apa: Bauer, C., Kenter, T., Lass, M., Mazur, L., Meyer, M., Nitsche, H., Riebler,
    H., Schade, R., Schwarz, M., Winnwa, N., Wiens, A., Wu, X., Plessl, C., &#38;
    Simon, J. (2024). Noctua 2 Supercomputer. <i>Journal of Large-Scale Research Facilities</i>,
    <i>9</i>. <a href="https://doi.org/10.17815/jlsrf-8-187 ">https://doi.org/10.17815/jlsrf-8-187
    </a>
  bibtex: '@article{Bauer_Kenter_Lass_Mazur_Meyer_Nitsche_Riebler_Schade_Schwarz_Winnwa_et
    al._2024, title={Noctua 2 Supercomputer}, volume={9}, DOI={<a href="https://doi.org/10.17815/jlsrf-8-187
    ">10.17815/jlsrf-8-187 </a>}, journal={Journal of large-scale research facilities},
    author={Bauer, Carsten and Kenter, Tobias and Lass, Michael and Mazur, Lukas and
    Meyer, Marius and Nitsche, Holger and Riebler, Heinrich and Schade, Robert and
    Schwarz, Michael and Winnwa, Nils and et al.}, year={2024} }'
  chicago: Bauer, Carsten, Tobias Kenter, Michael Lass, Lukas Mazur, Marius Meyer,
    Holger Nitsche, Heinrich Riebler, et al. “Noctua 2 Supercomputer.” <i>Journal
    of Large-Scale Research Facilities</i> 9 (2024). <a href="https://doi.org/10.17815/jlsrf-8-187
    ">https://doi.org/10.17815/jlsrf-8-187 </a>.
  ieee: 'C. Bauer <i>et al.</i>, “Noctua 2 Supercomputer,” <i>Journal of large-scale
    research facilities</i>, vol. 9, 2024, doi: <a href="https://doi.org/10.17815/jlsrf-8-187
    ">10.17815/jlsrf-8-187 </a>.'
  mla: Bauer, Carsten, et al. “Noctua 2 Supercomputer.” <i>Journal of Large-Scale
    Research Facilities</i>, vol. 9, 2024, doi:<a href="https://doi.org/10.17815/jlsrf-8-187
    ">10.17815/jlsrf-8-187 </a>.
  short: C. Bauer, T. Kenter, M. Lass, L. Mazur, M. Meyer, H. Nitsche, H. Riebler,
    R. Schade, M. Schwarz, N. Winnwa, A. Wiens, X. Wu, C. Plessl, J. Simon, Journal
    of Large-Scale Research Facilities 9 (2024).
date_created: 2024-04-26T07:39:41Z
date_updated: 2024-04-26T08:44:30Z
ddc:
- '004'
department:
- _id: '27'
- _id: '518'
doi: '10.17815/jlsrf-8-187 '
file:
- access_level: open_access
  content_type: application/pdf
  creator: deffel
  date_created: 2024-04-26T07:30:20Z
  date_updated: 2024-04-26T08:35:17Z
  file_id: '53664'
  file_name: Noctua2_Supercomputer.pdf
  file_size: 3825480
  relation: main_file
file_date_updated: 2024-04-26T08:35:17Z
has_accepted_license: '1'
intvolume: '         9'
keyword:
- Noctua 2
- Supercomputer
- FPGA
- PC2
- Paderborn Center for Parallel Computing
language:
- iso: eng
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Journal of large-scale research facilities
publication_status: published
status: public
title: Noctua 2 Supercomputer
type: journal_article
user_id: '8961'
volume: 9
year: '2024'
...
---
_id: '56606'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>Most FPGA boards in the HPC domain
    are well-suited for parallel scaling because of the direct integration of versatile
    and high-throughput network ports. However, the utilization of their network capabilities is
    often challenging and error-prone because the whole network stack and communication
    patterns have to be implemented and managed on the FPGAs. Also, this approach
    conceptually involves a trade-off between the performance potential of improved
    communication and the impact of resource consumption for communication infrastructure,
    since the utilized resources on the FPGAs could otherwise be used for computations.
    In this work, we investigate this trade-off, firstly, by using synthetic benchmarks
    to evaluate the different configuration options of the communication framework
    ACCL and their impact on communication latency and throughput. Finally, we use
    our findings to implement a shallow water simulation whose scalability heavily
    depends on low-latency communication. With a suitable configuration of ACCL, good
    scaling behavior can be shown to all 48 FPGAs installed in the system. Overall,
    the results show that the availability of inter-FPGA communication frameworks
    as well as the configurability of framework and network stack are crucial to achieve
    the best application performance with low latency communication.</jats:p>
author:
- first_name: Marius
  full_name: Meyer, Marius
  last_name: Meyer
- first_name: Tobias
  full_name: Kenter, Tobias
  last_name: Kenter
- first_name: Lucian
  full_name: Petrica, Lucian
  last_name: Petrica
- first_name: Kenneth
  full_name: O’Brien, Kenneth
  last_name: O’Brien
- first_name: Michaela
  full_name: Blott, Michaela
  last_name: Blott
- first_name: Christian
  full_name: Plessl, Christian
  last_name: Plessl
citation:
  ama: 'Meyer M, Kenter T, Petrica L, O’Brien K, Blott M, Plessl C. Optimizing Communication
    for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL. In: <i>Lecture
    Notes in Computer Science</i>. Springer Nature Switzerland; 2024. doi:<a href="https://doi.org/10.1007/978-3-031-69766-1_9">10.1007/978-3-031-69766-1_9</a>'
  apa: Meyer, M., Kenter, T., Petrica, L., O’Brien, K., Blott, M., &#38; Plessl, C.
    (2024). Optimizing Communication for Latency Sensitive HPC Applications on up
    to 48 FPGAs Using ACCL. In <i>Lecture Notes in Computer Science</i>. Springer
    Nature Switzerland. <a href="https://doi.org/10.1007/978-3-031-69766-1_9">https://doi.org/10.1007/978-3-031-69766-1_9</a>
  bibtex: '@inbook{Meyer_Kenter_Petrica_O’Brien_Blott_Plessl_2024, place={Cham}, title={Optimizing
    Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL},
    DOI={<a href="https://doi.org/10.1007/978-3-031-69766-1_9">10.1007/978-3-031-69766-1_9</a>},
    booktitle={Lecture Notes in Computer Science}, publisher={Springer Nature Switzerland},
    author={Meyer, Marius and Kenter, Tobias and Petrica, Lucian and O’Brien, Kenneth
    and Blott, Michaela and Plessl, Christian}, year={2024} }'
  chicago: 'Meyer, Marius, Tobias Kenter, Lucian Petrica, Kenneth O’Brien, Michaela
    Blott, and Christian Plessl. “Optimizing Communication for Latency Sensitive HPC
    Applications on up to 48 FPGAs Using ACCL.” In <i>Lecture Notes in Computer Science</i>.
    Cham: Springer Nature Switzerland, 2024. <a href="https://doi.org/10.1007/978-3-031-69766-1_9">https://doi.org/10.1007/978-3-031-69766-1_9</a>.'
  ieee: 'M. Meyer, T. Kenter, L. Petrica, K. O’Brien, M. Blott, and C. Plessl, “Optimizing
    Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL,”
    in <i>Lecture Notes in Computer Science</i>, Cham: Springer Nature Switzerland,
    2024.'
  mla: Meyer, Marius, et al. “Optimizing Communication for Latency Sensitive HPC Applications
    on up to 48 FPGAs Using ACCL.” <i>Lecture Notes in Computer Science</i>, Springer
    Nature Switzerland, 2024, doi:<a href="https://doi.org/10.1007/978-3-031-69766-1_9">10.1007/978-3-031-69766-1_9</a>.
  short: 'M. Meyer, T. Kenter, L. Petrica, K. O’Brien, M. Blott, C. Plessl, in: Lecture
    Notes in Computer Science, Springer Nature Switzerland, Cham, 2024.'
date_created: 2024-10-14T07:51:51Z
date_updated: 2024-10-14T07:55:50Z
department:
- _id: '27'
- _id: '518'
doi: 10.1007/978-3-031-69766-1_9
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
place: Cham
publication: Lecture Notes in Computer Science
publication_identifier:
  isbn:
  - '9783031697654'
  - '9783031697661'
  issn:
  - 0302-9743
  - 1611-3349
publication_status: published
publisher: Springer Nature Switzerland
quality_controlled: '1'
status: public
title: Optimizing Communication for Latency Sensitive HPC Applications on up to 48
  FPGAs Using ACCL
type: book_chapter
user_id: '3145'
year: '2024'
...
---
_id: '56605'
author:
- first_name: Jan-Oliver
  full_name: Opdenhövel, Jan-Oliver
  id: '73960'
  last_name: Opdenhövel
  orcid: 0000-0003-2314-2784
- first_name: Christoph
  full_name: Alt, Christoph
  id: '100625'
  last_name: Alt
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
citation:
  ama: 'Opdenhövel J-O, Alt C, Plessl C, Kenter T. StencilStream: A SYCL-based Stencil
    Simulation Framework Targeting FPGAs. In: <i>2024 34th International Conference
    on Field-Programmable Logic and Applications (FPL)</i>. IEEE; 2024. doi:<a href="https://doi.org/10.1109/fpl64840.2024.00023">10.1109/fpl64840.2024.00023</a>'
  apa: 'Opdenhövel, J.-O., Alt, C., Plessl, C., &#38; Kenter, T. (2024). StencilStream:
    A SYCL-based Stencil Simulation Framework Targeting FPGAs. <i>2024 34th International
    Conference on Field-Programmable Logic and Applications (FPL)</i>. <a href="https://doi.org/10.1109/fpl64840.2024.00023">https://doi.org/10.1109/fpl64840.2024.00023</a>'
  bibtex: '@inproceedings{Opdenhövel_Alt_Plessl_Kenter_2024, title={StencilStream:
    A SYCL-based Stencil Simulation Framework Targeting FPGAs}, DOI={<a href="https://doi.org/10.1109/fpl64840.2024.00023">10.1109/fpl64840.2024.00023</a>},
    booktitle={2024 34th International Conference on Field-Programmable Logic and
    Applications (FPL)}, publisher={IEEE}, author={Opdenhövel, Jan-Oliver and Alt,
    Christoph and Plessl, Christian and Kenter, Tobias}, year={2024} }'
  chicago: 'Opdenhövel, Jan-Oliver, Christoph Alt, Christian Plessl, and Tobias Kenter.
    “StencilStream: A SYCL-Based Stencil Simulation Framework Targeting FPGAs.” In
    <i>2024 34th International Conference on Field-Programmable Logic and Applications
    (FPL)</i>. IEEE, 2024. <a href="https://doi.org/10.1109/fpl64840.2024.00023">https://doi.org/10.1109/fpl64840.2024.00023</a>.'
  ieee: 'J.-O. Opdenhövel, C. Alt, C. Plessl, and T. Kenter, “StencilStream: A SYCL-based
    Stencil Simulation Framework Targeting FPGAs,” 2024, doi: <a href="https://doi.org/10.1109/fpl64840.2024.00023">10.1109/fpl64840.2024.00023</a>.'
  mla: 'Opdenhövel, Jan-Oliver, et al. “StencilStream: A SYCL-Based Stencil Simulation
    Framework Targeting FPGAs.” <i>2024 34th International Conference on Field-Programmable
    Logic and Applications (FPL)</i>, IEEE, 2024, doi:<a href="https://doi.org/10.1109/fpl64840.2024.00023">10.1109/fpl64840.2024.00023</a>.'
  short: 'J.-O. Opdenhövel, C. Alt, C. Plessl, T. Kenter, in: 2024 34th International
    Conference on Field-Programmable Logic and Applications (FPL), IEEE, 2024.'
date_created: 2024-10-14T07:49:24Z
date_updated: 2024-10-14T07:56:26Z
department:
- _id: '27'
- _id: '518'
doi: 10.1109/fpl64840.2024.00023
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 2024 34th International Conference on Field-Programmable Logic and Applications
  (FPL)
publication_status: published
publisher: IEEE
quality_controlled: '1'
status: public
title: 'StencilStream: A SYCL-based Stencil Simulation Framework Targeting FPGAs'
type: conference
user_id: '3145'
year: '2024'
...
---
_id: '56607'
author:
- first_name: Abdul Rehman
  full_name: Tareen, Abdul Rehman
  id: '76938'
  last_name: Tareen
- first_name: Marius
  full_name: Meyer, Marius
  id: '40778'
  last_name: Meyer
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
citation:
  ama: 'Tareen AR, Meyer M, Plessl C, Kenter T. HiHiSpMV: Sparse Matrix Vector Multiplication
    with Hierarchical Row Reductions on FPGAs with High Bandwidth Memory. In: <i>2024
    IEEE 32nd Annual International Symposium on Field-Programmable Custom Computing
    Machines (FCCM)</i>. Vol 35. IEEE; 2024. doi:<a href="https://doi.org/10.1109/fccm60383.2024.00014">10.1109/fccm60383.2024.00014</a>'
  apa: 'Tareen, A. R., Meyer, M., Plessl, C., &#38; Kenter, T. (2024). HiHiSpMV: Sparse
    Matrix Vector Multiplication with Hierarchical Row Reductions on FPGAs with High
    Bandwidth Memory. <i>2024 IEEE 32nd Annual International Symposium on Field-Programmable
    Custom Computing Machines (FCCM)</i>, <i>35</i>. <a href="https://doi.org/10.1109/fccm60383.2024.00014">https://doi.org/10.1109/fccm60383.2024.00014</a>'
  bibtex: '@inproceedings{Tareen_Meyer_Plessl_Kenter_2024, title={HiHiSpMV: Sparse
    Matrix Vector Multiplication with Hierarchical Row Reductions on FPGAs with High
    Bandwidth Memory}, volume={35}, DOI={<a href="https://doi.org/10.1109/fccm60383.2024.00014">10.1109/fccm60383.2024.00014</a>},
    booktitle={2024 IEEE 32nd Annual International Symposium on Field-Programmable
    Custom Computing Machines (FCCM)}, publisher={IEEE}, author={Tareen, Abdul Rehman
    and Meyer, Marius and Plessl, Christian and Kenter, Tobias}, year={2024} }'
  chicago: 'Tareen, Abdul Rehman, Marius Meyer, Christian Plessl, and Tobias Kenter.
    “HiHiSpMV: Sparse Matrix Vector Multiplication with Hierarchical Row Reductions
    on FPGAs with High Bandwidth Memory.” In <i>2024 IEEE 32nd Annual International
    Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>, Vol. 35.
    IEEE, 2024. <a href="https://doi.org/10.1109/fccm60383.2024.00014">https://doi.org/10.1109/fccm60383.2024.00014</a>.'
  ieee: 'A. R. Tareen, M. Meyer, C. Plessl, and T. Kenter, “HiHiSpMV: Sparse Matrix
    Vector Multiplication with Hierarchical Row Reductions on FPGAs with High Bandwidth
    Memory,” in <i>2024 IEEE 32nd Annual International Symposium on Field-Programmable
    Custom Computing Machines (FCCM)</i>, 2024, vol. 35, doi: <a href="https://doi.org/10.1109/fccm60383.2024.00014">10.1109/fccm60383.2024.00014</a>.'
  mla: 'Tareen, Abdul Rehman, et al. “HiHiSpMV: Sparse Matrix Vector Multiplication
    with Hierarchical Row Reductions on FPGAs with High Bandwidth Memory.” <i>2024
    IEEE 32nd Annual International Symposium on Field-Programmable Custom Computing
    Machines (FCCM)</i>, vol. 35, IEEE, 2024, doi:<a href="https://doi.org/10.1109/fccm60383.2024.00014">10.1109/fccm60383.2024.00014</a>.'
  short: 'A.R. Tareen, M. Meyer, C. Plessl, T. Kenter, in: 2024 IEEE 32nd Annual International
    Symposium on Field-Programmable Custom Computing Machines (FCCM), IEEE, 2024.'
date_created: 2024-10-14T07:59:08Z
date_updated: 2024-10-14T12:27:55Z
department:
- _id: '27'
- _id: '518'
doi: 10.1109/fccm60383.2024.00014
intvolume: '        35'
language:
- iso: eng
publication: 2024 IEEE 32nd Annual International Symposium on Field-Programmable Custom
  Computing Machines (FCCM)
publication_status: published
publisher: IEEE
quality_controlled: '1'
status: public
title: 'HiHiSpMV: Sparse Matrix Vector Multiplication with Hierarchical Row Reductions
  on FPGAs with High Bandwidth Memory'
type: conference
user_id: '3145'
volume: 35
year: '2024'
...
---
_id: '56609'
abstract:
- lang: eng
  text: 'The computation of electron repulsion integrals (ERIs) is a key component
    for quantum chemical methods. The intensive computation and bandwidth demand for
    ERI evaluation presents a significant challenge for quantum-mechanics-based atomistic
    simulations with hybrid density functional theory: due to the tens of trillions
    of ERI computations in each time step, practical applications are usually limited
    to thousands of atoms. In this work, we propose SERI, a high-throughput streaming
    accelerator for ERI computation on HBM-based FPGAs. In contrast to prior buffer-based
    designs, SERI proposes a novel streaming architecture to address the on-chip buffer
    limitation and the floorplanning challenge, and leverages the high-bandwidth memory
    to overcome the bandwidth bottleneck in prior designs. Moreover, to meet the varying
    computation, bandwidth, and floorplanning requirements between the 55 canonical
    quartet classes in ERI calculation, we design an automation tool, together with
    an accurate performance model, to automatically customize the architecture and
    floorplanning strategy for each canonical quartet class to maximize their throughput.
    Our performance evaluation on the AMD/Xilinx Alveo U280 FPGA board shows that,
    SERI achieves an average speedup of 9.80 x over the previous best-performing FPGA
    design, a 3.21x speedup over a 64-core AMD EPYC 7713 CPU, and a 15.64x speedup
    over an Nvidia A40 GPU. It reaches a peak throughput of 23.8 GERIS ($10^9$ ERIs
    per second) on one Alveo U280 FPGA. SERI will be released soon at https://github.com/SFU-HiAccel/SERI.'
author:
- first_name: Philip
  full_name: Stachura, Philip
  last_name: Stachura
- first_name: Guanyu
  full_name: Li, Guanyu
  last_name: Li
- first_name: Xin
  full_name: Wu, Xin
  id: '77439'
  last_name: Wu
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Zhenman
  full_name: Fang, Zhenman
  last_name: Fang
citation:
  ama: 'Stachura P, Li G, Wu X, Plessl C, Fang Z. SERI: High-Throughput Streaming
    Acceleration of Electron Repulsion Integral Computation in Quantum Chemistry using
    HBM-based FPGAs. In: <i>2024 34th International Conference on Field-Programmable
    Logic and Applications (FPL)</i>. IEEE; 2024:60-68. doi:<a href="https://doi.org/10.1109/fpl64840.2024.00018">10.1109/fpl64840.2024.00018</a>'
  apa: 'Stachura, P., Li, G., Wu, X., Plessl, C., &#38; Fang, Z. (2024). SERI: High-Throughput
    Streaming Acceleration of Electron Repulsion Integral Computation in Quantum Chemistry
    using HBM-based FPGAs. <i>2024 34th International Conference on Field-Programmable
    Logic and Applications (FPL)</i>, 60–68. <a href="https://doi.org/10.1109/fpl64840.2024.00018">https://doi.org/10.1109/fpl64840.2024.00018</a>'
  bibtex: '@inproceedings{Stachura_Li_Wu_Plessl_Fang_2024, title={SERI: High-Throughput
    Streaming Acceleration of Electron Repulsion Integral Computation in Quantum Chemistry
    using HBM-based FPGAs}, DOI={<a href="https://doi.org/10.1109/fpl64840.2024.00018">10.1109/fpl64840.2024.00018</a>},
    booktitle={2024 34th International Conference on Field-Programmable Logic and
    Applications (FPL)}, publisher={IEEE}, author={Stachura, Philip and Li, Guanyu
    and Wu, Xin and Plessl, Christian and Fang, Zhenman}, year={2024}, pages={60–68}
    }'
  chicago: 'Stachura, Philip, Guanyu Li, Xin Wu, Christian Plessl, and Zhenman Fang.
    “SERI: High-Throughput Streaming Acceleration of Electron Repulsion Integral Computation
    in Quantum Chemistry Using HBM-Based FPGAs.” In <i>2024 34th International Conference
    on Field-Programmable Logic and Applications (FPL)</i>, 60–68. IEEE, 2024. <a
    href="https://doi.org/10.1109/fpl64840.2024.00018">https://doi.org/10.1109/fpl64840.2024.00018</a>.'
  ieee: 'P. Stachura, G. Li, X. Wu, C. Plessl, and Z. Fang, “SERI: High-Throughput
    Streaming Acceleration of Electron Repulsion Integral Computation in Quantum Chemistry
    using HBM-based FPGAs,” in <i>2024 34th International Conference on Field-Programmable
    Logic and Applications (FPL)</i>, 2024, pp. 60–68, doi: <a href="https://doi.org/10.1109/fpl64840.2024.00018">10.1109/fpl64840.2024.00018</a>.'
  mla: 'Stachura, Philip, et al. “SERI: High-Throughput Streaming Acceleration of
    Electron Repulsion Integral Computation in Quantum Chemistry Using HBM-Based FPGAs.”
    <i>2024 34th International Conference on Field-Programmable Logic and Applications
    (FPL)</i>, IEEE, 2024, pp. 60–68, doi:<a href="https://doi.org/10.1109/fpl64840.2024.00018">10.1109/fpl64840.2024.00018</a>.'
  short: 'P. Stachura, G. Li, X. Wu, C. Plessl, Z. Fang, in: 2024 34th International
    Conference on Field-Programmable Logic and Applications (FPL), IEEE, 2024, pp.
    60–68.'
date_created: 2024-10-14T08:44:44Z
date_updated: 2024-10-15T08:37:27Z
department:
- _id: '27'
- _id: '518'
doi: 10.1109/fpl64840.2024.00018
language:
- iso: eng
main_file_link:
- url: https://ieeexplore.ieee.org/document/10705609
page: 60-68
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 2024 34th International Conference on Field-Programmable Logic and Applications
  (FPL)
publication_status: published
publisher: IEEE
quality_controlled: '1'
status: public
title: 'SERI: High-Throughput Streaming Acceleration of Electron Repulsion Integral
  Computation in Quantum Chemistry using HBM-based FPGAs'
type: conference
user_id: '77439'
year: '2024'
...
---
_id: '62067'
abstract:
- lang: eng
  text: Most FPGA boards in the HPC domain are well-suited for parallel scaling because
    of the direct integration of versatile and high-throughput network ports. However,
    the utilization of their network capabilities is often challenging and error-prone
    because the whole network stack and communication patterns have to be implemented
    and managed on the FPGAs. Also, this approach conceptually involves a trade-off
    between the performance potential of improved communication and the impact of
    resource consumption for communication infrastructure, since the utilized resources
    on the FPGAs could otherwise be used for computations. In this work, we investigate
    this trade-off, firstly, by using synthetic benchmarks to evaluate the different
    configuration options of the communication framework ACCL and their impact on
    communication latency and throughput. Finally, we use our findings to implement
    a shallow water simulation whose scalability heavily depends on low-latency communication.
    With a suitable configuration of ACCL, good scaling behavior can be shown to all
    48 FPGAs installed in the system. Overall, the results show that the availability
    of inter-FPGA communication frameworks as well as the configurability of framework and
    network stack are crucial to achieve the best application performance with low
    latency communication.
author:
- first_name: Marius
  full_name: Meyer, Marius
  id: '40778'
  last_name: Meyer
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Lucian
  full_name: Petrica, Lucian
  last_name: Petrica
- first_name: Kenneth
  full_name: O’Brien, Kenneth
  last_name: O’Brien
- first_name: Michaela
  full_name: Blott, Michaela
  last_name: Blott
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: 'Meyer M, Kenter T, Petrica L, O’Brien K, Blott M, Plessl C. Optimizing Communication
    for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL. In: <i>Lecture
    Notes in Computer Science</i>. Springer Nature Switzerland; 2024. doi:<a href="https://doi.org/10.1007/978-3-031-69766-1_9">10.1007/978-3-031-69766-1_9</a>'
  apa: Meyer, M., Kenter, T., Petrica, L., O’Brien, K., Blott, M., &#38; Plessl, C.
    (2024). Optimizing Communication for Latency Sensitive HPC Applications on up
    to 48 FPGAs Using ACCL. In <i>Lecture Notes in Computer Science</i>. Springer
    Nature Switzerland. <a href="https://doi.org/10.1007/978-3-031-69766-1_9">https://doi.org/10.1007/978-3-031-69766-1_9</a>
  bibtex: '@inbook{Meyer_Kenter_Petrica_O’Brien_Blott_Plessl_2024, place={Cham}, title={Optimizing
    Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL},
    DOI={<a href="https://doi.org/10.1007/978-3-031-69766-1_9">10.1007/978-3-031-69766-1_9</a>},
    booktitle={Lecture Notes in Computer Science}, publisher={Springer Nature Switzerland},
    author={Meyer, Marius and Kenter, Tobias and Petrica, Lucian and O’Brien, Kenneth
    and Blott, Michaela and Plessl, Christian}, year={2024} }'
  chicago: 'Meyer, Marius, Tobias Kenter, Lucian Petrica, Kenneth O’Brien, Michaela
    Blott, and Christian Plessl. “Optimizing Communication for Latency Sensitive HPC
    Applications on up to 48 FPGAs Using ACCL.” In <i>Lecture Notes in Computer Science</i>.
    Cham: Springer Nature Switzerland, 2024. <a href="https://doi.org/10.1007/978-3-031-69766-1_9">https://doi.org/10.1007/978-3-031-69766-1_9</a>.'
  ieee: 'M. Meyer, T. Kenter, L. Petrica, K. O’Brien, M. Blott, and C. Plessl, “Optimizing
    Communication for Latency Sensitive HPC Applications on up to 48 FPGAs Using ACCL,”
    in <i>Lecture Notes in Computer Science</i>, Cham: Springer Nature Switzerland,
    2024.'
  mla: Meyer, Marius, et al. “Optimizing Communication for Latency Sensitive HPC Applications
    on up to 48 FPGAs Using ACCL.” <i>Lecture Notes in Computer Science</i>, Springer
    Nature Switzerland, 2024, doi:<a href="https://doi.org/10.1007/978-3-031-69766-1_9">10.1007/978-3-031-69766-1_9</a>.
  short: 'M. Meyer, T. Kenter, L. Petrica, K. O’Brien, M. Blott, C. Plessl, in: Lecture
    Notes in Computer Science, Springer Nature Switzerland, Cham, 2024.'
date_created: 2025-11-04T09:50:24Z
date_updated: 2025-11-04T09:51:22Z
department:
- _id: '27'
- _id: '518'
doi: 10.1007/978-3-031-69766-1_9
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
place: Cham
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Lecture Notes in Computer Science
publication_identifier:
  isbn:
  - '9783031697654'
  - '9783031697661'
  issn:
  - 0302-9743
  - 1611-3349
publication_status: published
publisher: Springer Nature Switzerland
quality_controlled: '1'
status: public
title: Optimizing Communication for Latency Sensitive HPC Applications on up to 48
  FPGAs Using ACCL
type: book_chapter
user_id: '3145'
year: '2024'
...
---
_id: '56604'
abstract:
- lang: eng
  text: This manuscript makes the claim of having computed the 9th Dedekind number,
    D(9). This was done by accelerating the core operation of the process with an
    efficient FPGA design that outperforms an optimized 64-core CPU reference by 95x.
    The FPGA execution was parallelized on the Noctua 2 supercomputer at Paderborn
    University. The resulting value for D(9) is 286386577668298411128469151667598498812366.
    This value can be verified in two steps. We have made the data file containing
    the 490 M results available, each of which can be verified separately on CPU,
    and the whole file sums to our proposed value. The paper explains the mathematical
    approach in the first part, before putting the focus on a deep dive into the FPGA
    accelerator implementation followed by a performance analysis. The FPGA implementation
    was done in Register-Transfer Level using a dual-clock architecture and shows
    how we achieved an impressive FMax of 450 MHz on the targeted Stratix 10 GX 2,800
    FPGAs. The total compute time used was 47,000 FPGA hours.
author:
- first_name: Lennart
  full_name: Van Hirtum, Lennart
  id: '100210'
  last_name: Van Hirtum
- first_name: Patrick
  full_name: De Causmaecker, Patrick
  last_name: De Causmaecker
- first_name: Jens
  full_name: Goemaere, Jens
  last_name: Goemaere
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Heinrich
  full_name: Riebler, Heinrich
  id: '8961'
  last_name: Riebler
- first_name: Michael
  full_name: Lass, Michael
  id: '24135'
  last_name: Lass
  orcid: 0000-0002-5708-7632
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: Van Hirtum L, De Causmaecker P, Goemaere J, et al. A Computation of the Ninth
    Dedekind Number Using FPGA Supercomputing. <i>ACM Transactions on Reconfigurable
    Technology and Systems</i>. 2024;17(3):1-28. doi:<a href="https://doi.org/10.1145/3674147">10.1145/3674147</a>
  apa: Van Hirtum, L., De Causmaecker, P., Goemaere, J., Kenter, T., Riebler, H.,
    Lass, M., &#38; Plessl, C. (2024). A Computation of the Ninth Dedekind Number
    Using FPGA Supercomputing. <i>ACM Transactions on Reconfigurable Technology and
    Systems</i>, <i>17</i>(3), 1–28. <a href="https://doi.org/10.1145/3674147">https://doi.org/10.1145/3674147</a>
  bibtex: '@article{Van Hirtum_De Causmaecker_Goemaere_Kenter_Riebler_Lass_Plessl_2024,
    title={A Computation of the Ninth Dedekind Number Using FPGA Supercomputing},
    volume={17}, DOI={<a href="https://doi.org/10.1145/3674147">10.1145/3674147</a>},
    number={3}, journal={ACM Transactions on Reconfigurable Technology and Systems},
    publisher={Association for Computing Machinery (ACM)}, author={Van Hirtum, Lennart
    and De Causmaecker, Patrick and Goemaere, Jens and Kenter, Tobias and Riebler,
    Heinrich and Lass, Michael and Plessl, Christian}, year={2024}, pages={1–28} }'
  chicago: 'Van Hirtum, Lennart, Patrick De Causmaecker, Jens Goemaere, Tobias Kenter,
    Heinrich Riebler, Michael Lass, and Christian Plessl. “A Computation of the Ninth
    Dedekind Number Using FPGA Supercomputing.” <i>ACM Transactions on Reconfigurable
    Technology and Systems</i> 17, no. 3 (2024): 1–28. <a href="https://doi.org/10.1145/3674147">https://doi.org/10.1145/3674147</a>.'
  ieee: 'L. Van Hirtum <i>et al.</i>, “A Computation of the Ninth Dedekind Number
    Using FPGA Supercomputing,” <i>ACM Transactions on Reconfigurable Technology and
    Systems</i>, vol. 17, no. 3, pp. 1–28, 2024, doi: <a href="https://doi.org/10.1145/3674147">10.1145/3674147</a>.'
  mla: Van Hirtum, Lennart, et al. “A Computation of the Ninth Dedekind Number Using
    FPGA Supercomputing.” <i>ACM Transactions on Reconfigurable Technology and Systems</i>,
    vol. 17, no. 3, Association for Computing Machinery (ACM), 2024, pp. 1–28, doi:<a
    href="https://doi.org/10.1145/3674147">10.1145/3674147</a>.
  short: L. Van Hirtum, P. De Causmaecker, J. Goemaere, T. Kenter, H. Riebler, M.
    Lass, C. Plessl, ACM Transactions on Reconfigurable Technology and Systems 17
    (2024) 1–28.
date_created: 2024-10-14T07:38:29Z
date_updated: 2025-11-04T09:53:26Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3674147
intvolume: '        17'
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
page: 1-28
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: ACM Transactions on Reconfigurable Technology and Systems
publication_identifier:
  issn:
  - 1936-7406
  - 1936-7414
publication_status: published
publisher: Association for Computing Machinery (ACM)
quality_controlled: '1'
status: public
title: A Computation of the Ninth Dedekind Number Using FPGA Supercomputing
type: journal_article
user_id: '3145'
volume: 17
year: '2024'
...
---
_id: '53503'
author:
- first_name: Kaan
  full_name: Olgu, Kaan
  last_name: Olgu
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Jose
  full_name: Nunez-Yanez, Jose
  last_name: Nunez-Yanez
- first_name: Simon
  full_name: Mcintosh-Smith, Simon
  last_name: Mcintosh-Smith
citation:
  ama: 'Olgu K, Kenter T, Nunez-Yanez J, Mcintosh-Smith S. Optimisation and Evaluation
    of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing Algorithms
    to Describing Architectures. In: <i>Proceedings of the 12th International Workshop
    on OpenCL and SYCL</i>. ACM; 2024. doi:<a href="https://doi.org/10.1145/3648115.3648134">10.1145/3648115.3648134</a>'
  apa: 'Olgu, K., Kenter, T., Nunez-Yanez, J., &#38; Mcintosh-Smith, S. (2024). Optimisation
    and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing
    Algorithms to Describing Architectures. <i>Proceedings of the 12th International
    Workshop on OpenCL and SYCL</i>. <a href="https://doi.org/10.1145/3648115.3648134">https://doi.org/10.1145/3648115.3648134</a>'
  bibtex: '@inproceedings{Olgu_Kenter_Nunez-Yanez_Mcintosh-Smith_2024, title={Optimisation
    and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing
    Algorithms to Describing Architectures}, DOI={<a href="https://doi.org/10.1145/3648115.3648134">10.1145/3648115.3648134</a>},
    booktitle={Proceedings of the 12th International Workshop on OpenCL and SYCL},
    publisher={ACM}, author={Olgu, Kaan and Kenter, Tobias and Nunez-Yanez, Jose and
    Mcintosh-Smith, Simon}, year={2024} }'
  chicago: 'Olgu, Kaan, Tobias Kenter, Jose Nunez-Yanez, and Simon Mcintosh-Smith.
    “Optimisation and Evaluation of Breadth First Search with OneAPI/SYCL on Intel
    FPGAs: From Describing Algorithms to Describing Architectures.” In <i>Proceedings
    of the 12th International Workshop on OpenCL and SYCL</i>. ACM, 2024. <a href="https://doi.org/10.1145/3648115.3648134">https://doi.org/10.1145/3648115.3648134</a>.'
  ieee: 'K. Olgu, T. Kenter, J. Nunez-Yanez, and S. Mcintosh-Smith, “Optimisation
    and Evaluation of Breadth First Search with oneAPI/SYCL on Intel FPGAs: from Describing
    Algorithms to Describing Architectures,” 2024, doi: <a href="https://doi.org/10.1145/3648115.3648134">10.1145/3648115.3648134</a>.'
  mla: 'Olgu, Kaan, et al. “Optimisation and Evaluation of Breadth First Search with
    OneAPI/SYCL on Intel FPGAs: From Describing Algorithms to Describing Architectures.”
    <i>Proceedings of the 12th International Workshop on OpenCL and SYCL</i>, ACM,
    2024, doi:<a href="https://doi.org/10.1145/3648115.3648134">10.1145/3648115.3648134</a>.'
  short: 'K. Olgu, T. Kenter, J. Nunez-Yanez, S. Mcintosh-Smith, in: Proceedings of
    the 12th International Workshop on OpenCL and SYCL, ACM, 2024.'
date_created: 2024-04-15T07:41:21Z
date_updated: 2025-11-04T09:53:59Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3648115.3648134
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the 12th International Workshop on OpenCL and SYCL
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: 'Optimisation and Evaluation of Breadth First Search with oneAPI/SYCL on Intel
  FPGAs: from Describing Algorithms to Describing Architectures'
type: conference
user_id: '3145'
year: '2024'
...
---
_id: '54312'
article_number: '11'
author:
- first_name: Markus
  full_name: Büttner, Markus
  last_name: Büttner
- first_name: Christoph
  full_name: Alt, Christoph
  id: '100625'
  last_name: Alt
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Harald
  full_name: Köstler, Harald
  last_name: Köstler
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Vadym
  full_name: Aizinger, Vadym
  last_name: Aizinger
citation:
  ama: 'Büttner M, Alt C, Kenter T, Köstler H, Plessl C, Aizinger V. Enabling Performance
    Portability for Shallow Water Equations on CPUs, GPUs, and FPGAs with SYCL. In:
    <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>.
    ACM; 2024. doi:<a href="https://doi.org/10.1145/3659914.3659925">10.1145/3659914.3659925</a>'
  apa: Büttner, M., Alt, C., Kenter, T., Köstler, H., Plessl, C., &#38; Aizinger,
    V. (2024). Enabling Performance Portability for Shallow Water Equations on CPUs,
    GPUs, and FPGAs with SYCL. <i>Proceedings of the Platform for Advanced Scientific
    Computing Conference (PASC)</i>, Article 11. <a href="https://doi.org/10.1145/3659914.3659925">https://doi.org/10.1145/3659914.3659925</a>
  bibtex: '@inproceedings{Büttner_Alt_Kenter_Köstler_Plessl_Aizinger_2024, title={Enabling
    Performance Portability for Shallow Water Equations on CPUs, GPUs, and FPGAs with
    SYCL}, DOI={<a href="https://doi.org/10.1145/3659914.3659925">10.1145/3659914.3659925</a>},
    number={11}, booktitle={Proceedings of the Platform for Advanced Scientific Computing
    Conference (PASC)}, publisher={ACM}, author={Büttner, Markus and Alt, Christoph
    and Kenter, Tobias and Köstler, Harald and Plessl, Christian and Aizinger, Vadym},
    year={2024} }'
  chicago: Büttner, Markus, Christoph Alt, Tobias Kenter, Harald Köstler, Christian
    Plessl, and Vadym Aizinger. “Enabling Performance Portability for Shallow Water
    Equations on CPUs, GPUs, and FPGAs with SYCL.” In <i>Proceedings of the Platform
    for Advanced Scientific Computing Conference (PASC)</i>. ACM, 2024. <a href="https://doi.org/10.1145/3659914.3659925">https://doi.org/10.1145/3659914.3659925</a>.
  ieee: 'M. Büttner, C. Alt, T. Kenter, H. Köstler, C. Plessl, and V. Aizinger, “Enabling
    Performance Portability for Shallow Water Equations on CPUs, GPUs, and FPGAs with
    SYCL,” 2024, doi: <a href="https://doi.org/10.1145/3659914.3659925">10.1145/3659914.3659925</a>.'
  mla: Büttner, Markus, et al. “Enabling Performance Portability for Shallow Water
    Equations on CPUs, GPUs, and FPGAs with SYCL.” <i>Proceedings of the Platform
    for Advanced Scientific Computing Conference (PASC)</i>, 11, ACM, 2024, doi:<a
    href="https://doi.org/10.1145/3659914.3659925">10.1145/3659914.3659925</a>.
  short: 'M. Büttner, C. Alt, T. Kenter, H. Köstler, C. Plessl, V. Aizinger, in: Proceedings
    of the Platform for Advanced Scientific Computing Conference (PASC), ACM, 2024.'
date_created: 2024-05-16T13:24:49Z
date_updated: 2024-11-27T22:50:19Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3659914.3659925
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the Platform for Advanced Scientific Computing Conference
  (PASC)
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: Enabling Performance Portability for Shallow Water Equations on CPUs, GPUs,
  and FPGAs with SYCL
type: conference
user_id: '16153'
year: '2024'
...
---
_id: '43439'
abstract:
- lang: eng
  text: "This preprint makes the claim of having computed the $9^{th}$ Dedekind\r\nNumber.
    This was done by building an efficient FPGA Accelerator for the core\r\noperation
    of the process, and parallelizing it on the Noctua 2 Supercluster at\r\nPaderborn
    University. The resulting value is\r\n286386577668298411128469151667598498812366.
    This value can be verified in two\r\nsteps. We have made the data file containing
    the 490M results available, each\r\nof which can be verified separately on CPU,
    and the whole file sums to our\r\nproposed value."
author:
- first_name: Lennart
  full_name: Van Hirtum, Lennart
  last_name: Van Hirtum
- first_name: Patrick
  full_name: De Causmaecker, Patrick
  last_name: De Causmaecker
- first_name: Jens
  full_name: Goemaere, Jens
  last_name: Goemaere
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Heinrich
  full_name: Riebler, Heinrich
  id: '8961'
  last_name: Riebler
- first_name: Michael
  full_name: Lass, Michael
  id: '24135'
  last_name: Lass
  orcid: 0000-0002-5708-7632
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: Van Hirtum L, De Causmaecker P, Goemaere J, et al. A computation of D(9) using
    FPGA Supercomputing. <i>arXiv:230403039</i>. Published online 2023.
  apa: Van Hirtum, L., De Causmaecker, P., Goemaere, J., Kenter, T., Riebler, H.,
    Lass, M., &#38; Plessl, C. (2023). A computation of D(9) using FPGA Supercomputing.
    In <i>arXiv:2304.03039</i>.
  bibtex: '@article{Van Hirtum_De Causmaecker_Goemaere_Kenter_Riebler_Lass_Plessl_2023,
    title={A computation of D(9) using FPGA Supercomputing}, journal={arXiv:2304.03039},
    author={Van Hirtum, Lennart and De Causmaecker, Patrick and Goemaere, Jens and
    Kenter, Tobias and Riebler, Heinrich and Lass, Michael and Plessl, Christian},
    year={2023} }'
  chicago: Van Hirtum, Lennart, Patrick De Causmaecker, Jens Goemaere, Tobias Kenter,
    Heinrich Riebler, Michael Lass, and Christian Plessl. “A Computation of D(9) Using
    FPGA Supercomputing.” <i>ArXiv:2304.03039</i>, 2023.
  ieee: L. Van Hirtum <i>et al.</i>, “A computation of D(9) using FPGA Supercomputing,”
    <i>arXiv:2304.03039</i>. 2023.
  mla: Van Hirtum, Lennart, et al. “A Computation of D(9) Using FPGA Supercomputing.”
    <i>ArXiv:2304.03039</i>, 2023.
  short: L. Van Hirtum, P. De Causmaecker, J. Goemaere, T. Kenter, H. Riebler, M.
    Lass, C. Plessl, ArXiv:2304.03039 (2023).
date_created: 2023-04-08T11:05:29Z
date_updated: 2024-01-22T09:56:42Z
department:
- _id: '27'
- _id: '518'
external_id:
  arxiv:
  - '2304.03039'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2304.03039
status: public
title: A computation of D(9) using FPGA Supercomputing
type: preprint
user_id: '3145'
year: '2023'
...
---
_id: '46188'
author:
- first_name: Jennifer
  full_name: Faj, Jennifer
  id: '78722'
  last_name: Faj
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Sara
  full_name: Faghih-Naini, Sara
  last_name: Faghih-Naini
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Vadym
  full_name: Aizinger, Vadym
  last_name: Aizinger
citation:
  ama: 'Faj J, Kenter T, Faghih-Naini S, Plessl C, Aizinger V. Scalable Multi-FPGA
    Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured Meshes.
    In: <i>Proceedings of the Platform for Advanced Scientific Computing Conference
    (PASC)</i>. ACM; 2023. doi:<a href="https://doi.org/10.1145/3592979.3593407">10.1145/3592979.3593407</a>'
  apa: Faj, J., Kenter, T., Faghih-Naini, S., Plessl, C., &#38; Aizinger, V. (2023).
    Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on
    Unstructured Meshes. <i>Proceedings of the Platform for Advanced Scientific Computing
    Conference (PASC)</i>. <a href="https://doi.org/10.1145/3592979.3593407">https://doi.org/10.1145/3592979.3593407</a>
  bibtex: '@inproceedings{Faj_Kenter_Faghih-Naini_Plessl_Aizinger_2023, title={Scalable
    Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured
    Meshes}, DOI={<a href="https://doi.org/10.1145/3592979.3593407">10.1145/3592979.3593407</a>},
    booktitle={Proceedings of the Platform for Advanced Scientific Computing Conference
    (PASC)}, publisher={ACM}, author={Faj, Jennifer and Kenter, Tobias and Faghih-Naini,
    Sara and Plessl, Christian and Aizinger, Vadym}, year={2023} }'
  chicago: Faj, Jennifer, Tobias Kenter, Sara Faghih-Naini, Christian Plessl, and
    Vadym Aizinger. “Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water
    Model on Unstructured Meshes.” In <i>Proceedings of the Platform for Advanced
    Scientific Computing Conference (PASC)</i>. ACM, 2023. <a href="https://doi.org/10.1145/3592979.3593407">https://doi.org/10.1145/3592979.3593407</a>.
  ieee: 'J. Faj, T. Kenter, S. Faghih-Naini, C. Plessl, and V. Aizinger, “Scalable
    Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model on Unstructured
    Meshes,” 2023, doi: <a href="https://doi.org/10.1145/3592979.3593407">10.1145/3592979.3593407</a>.'
  mla: Faj, Jennifer, et al. “Scalable Multi-FPGA Design of a Discontinuous Galerkin
    Shallow-Water Model on Unstructured Meshes.” <i>Proceedings of the Platform for
    Advanced Scientific Computing Conference (PASC)</i>, ACM, 2023, doi:<a href="https://doi.org/10.1145/3592979.3593407">10.1145/3592979.3593407</a>.
  short: 'J. Faj, T. Kenter, S. Faghih-Naini, C. Plessl, V. Aizinger, in: Proceedings
    of the Platform for Advanced Scientific Computing Conference (PASC), ACM, 2023.'
date_created: 2023-07-28T09:42:14Z
date_updated: 2024-04-17T08:09:39Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3592979.3593407
language:
- iso: eng
main_file_link:
- url: https://dl.acm.org/doi/pdf/10.1145/3592979.3593407
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the Platform for Advanced Scientific Computing Conference
  (PASC)
publication_status: published
publisher: ACM
quality_controlled: '1'
related_material:
  link:
  - description: Open Access available via this link.
    relation: other
    url: https://www.sighpc.org/for-our-community/acm-open-tocs/pasc23-open-toc
status: public
title: Scalable Multi-FPGA Design of a Discontinuous Galerkin Shallow-Water Model
  on Unstructured Meshes
type: conference
user_id: '3145'
year: '2023'
...
---
_id: '46189'
author:
- first_name: Charles
  full_name: Prouveur, Charles
  last_name: Prouveur
- first_name: Matthieu
  full_name: Haefele, Matthieu
  last_name: Haefele
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Nils
  full_name: Voss, Nils
  last_name: Voss
citation:
  ama: 'Prouveur C, Haefele M, Kenter T, Voss N. FPGA Acceleration for HPC Supercapacitor
    Simulations. In: <i>Proceedings of the Platform for Advanced Scientific Computing
    Conference (PASC)</i>. ACM; 2023. doi:<a href="https://doi.org/10.1145/3592979.3593419">10.1145/3592979.3593419</a>'
  apa: Prouveur, C., Haefele, M., Kenter, T., &#38; Voss, N. (2023). FPGA Acceleration
    for HPC Supercapacitor Simulations. <i>Proceedings of the Platform for Advanced
    Scientific Computing Conference (PASC)</i>. <a href="https://doi.org/10.1145/3592979.3593419">https://doi.org/10.1145/3592979.3593419</a>
  bibtex: '@inproceedings{Prouveur_Haefele_Kenter_Voss_2023, title={FPGA Acceleration
    for HPC Supercapacitor Simulations}, DOI={<a href="https://doi.org/10.1145/3592979.3593419">10.1145/3592979.3593419</a>},
    booktitle={Proceedings of the Platform for Advanced Scientific Computing Conference
    (PASC)}, publisher={ACM}, author={Prouveur, Charles and Haefele, Matthieu and
    Kenter, Tobias and Voss, Nils}, year={2023} }'
  chicago: Prouveur, Charles, Matthieu Haefele, Tobias Kenter, and Nils Voss. “FPGA
    Acceleration for HPC Supercapacitor Simulations.” In <i>Proceedings of the Platform
    for Advanced Scientific Computing Conference (PASC)</i>. ACM, 2023. <a href="https://doi.org/10.1145/3592979.3593419">https://doi.org/10.1145/3592979.3593419</a>.
  ieee: 'C. Prouveur, M. Haefele, T. Kenter, and N. Voss, “FPGA Acceleration for HPC
    Supercapacitor Simulations,” 2023, doi: <a href="https://doi.org/10.1145/3592979.3593419">10.1145/3592979.3593419</a>.'
  mla: Prouveur, Charles, et al. “FPGA Acceleration for HPC Supercapacitor Simulations.”
    <i>Proceedings of the Platform for Advanced Scientific Computing Conference (PASC)</i>,
    ACM, 2023, doi:<a href="https://doi.org/10.1145/3592979.3593419">10.1145/3592979.3593419</a>.
  short: 'C. Prouveur, M. Haefele, T. Kenter, N. Voss, in: Proceedings of the Platform
    for Advanced Scientific Computing Conference (PASC), ACM, 2023.'
date_created: 2023-07-28T09:46:25Z
date_updated: 2024-04-17T08:10:51Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3592979.3593419
language:
- iso: eng
main_file_link:
- url: https://dl.acm.org/doi/pdf/10.1145/3592979.3593419
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the Platform for Advanced Scientific Computing Conference
  (PASC)
publication_status: published
publisher: ACM
quality_controlled: '1'
related_material:
  link:
  - description: Open Access available via this link.
    relation: other
    url: ' https://www.sighpc.org/for-our-community/acm-open-tocs/pasc23-open-toc '
status: public
title: FPGA Acceleration for HPC Supercapacitor Simulations
type: conference
user_id: '3145'
year: '2023'
...
---
_id: '45893'
author:
- first_name: Tim
  full_name: Hansmeier, Tim
  id: '49992'
  last_name: Hansmeier
  orcid: 0000-0003-1377-3339
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Marius
  full_name: Meyer, Marius
  id: '40778'
  last_name: Meyer
- first_name: Heinrich
  full_name: Riebler, Heinrich
  id: '8961'
  last_name: Riebler
- first_name: Marco
  full_name: Platzner, Marco
  id: '398'
  last_name: Platzner
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: 'Hansmeier T, Kenter T, Meyer M, Riebler H, Platzner M, Plessl C. Compute Centers
    I: Heterogeneous Execution Environments. In: Haake C-J, Meyer auf der Heide F,
    Platzner M, Wachsmuth H, Wehrheim H, eds. <i>On-The-Fly Computing -- Individualized
    IT-Services in Dynamic Markets</i>. Vol 412. Verlagsschriftenreihe des Heinz Nixdorf
    Instituts. Heinz Nixdorf Institut, Universität Paderborn; 2023:165-182. doi:<a
    href="https://doi.org/10.5281/zenodo.8068642">10.5281/zenodo.8068642</a>'
  apa: 'Hansmeier, T., Kenter, T., Meyer, M., Riebler, H., Platzner, M., &#38; Plessl,
    C. (2023). Compute Centers I: Heterogeneous Execution Environments. In C.-J. Haake,
    F. Meyer auf der Heide, M. Platzner, H. Wachsmuth, &#38; H. Wehrheim (Eds.), <i>On-The-Fly
    Computing -- Individualized IT-services in dynamic markets</i> (Vol. 412, pp.
    165–182). Heinz Nixdorf Institut, Universität Paderborn. <a href="https://doi.org/10.5281/zenodo.8068642">https://doi.org/10.5281/zenodo.8068642</a>'
  bibtex: '@inbook{Hansmeier_Kenter_Meyer_Riebler_Platzner_Plessl_2023, place={Paderborn},
    series={Verlagsschriftenreihe des Heinz Nixdorf Instituts}, title={Compute Centers
    I: Heterogeneous Execution Environments}, volume={412}, DOI={<a href="https://doi.org/10.5281/zenodo.8068642">10.5281/zenodo.8068642</a>},
    booktitle={On-The-Fly Computing -- Individualized IT-services in dynamic markets},
    publisher={Heinz Nixdorf Institut, Universität Paderborn}, author={Hansmeier,
    Tim and Kenter, Tobias and Meyer, Marius and Riebler, Heinrich and Platzner, Marco
    and Plessl, Christian}, editor={Haake, Claus-Jochen and Meyer auf der Heide, Friedhelm
    and Platzner, Marco and Wachsmuth, Henning and Wehrheim, Heike}, year={2023},
    pages={165–182}, collection={Verlagsschriftenreihe des Heinz Nixdorf Instituts}
    }'
  chicago: 'Hansmeier, Tim, Tobias Kenter, Marius Meyer, Heinrich Riebler, Marco Platzner,
    and Christian Plessl. “Compute Centers I: Heterogeneous Execution Environments.”
    In <i>On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets</i>,
    edited by Claus-Jochen Haake, Friedhelm Meyer auf der Heide, Marco Platzner, Henning
    Wachsmuth, and Heike Wehrheim, 412:165–82. Verlagsschriftenreihe Des Heinz Nixdorf
    Instituts. Paderborn: Heinz Nixdorf Institut, Universität Paderborn, 2023. <a
    href="https://doi.org/10.5281/zenodo.8068642">https://doi.org/10.5281/zenodo.8068642</a>.'
  ieee: 'T. Hansmeier, T. Kenter, M. Meyer, H. Riebler, M. Platzner, and C. Plessl,
    “Compute Centers I: Heterogeneous Execution Environments,” in <i>On-The-Fly Computing
    -- Individualized IT-services in dynamic markets</i>, vol. 412, C.-J. Haake, F.
    Meyer auf der Heide, M. Platzner, H. Wachsmuth, and H. Wehrheim, Eds. Paderborn:
    Heinz Nixdorf Institut, Universität Paderborn, 2023, pp. 165–182.'
  mla: 'Hansmeier, Tim, et al. “Compute Centers I: Heterogeneous Execution Environments.”
    <i>On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets</i>,
    edited by Claus-Jochen Haake et al., vol. 412, Heinz Nixdorf Institut, Universität
    Paderborn, 2023, pp. 165–82, doi:<a href="https://doi.org/10.5281/zenodo.8068642">10.5281/zenodo.8068642</a>.'
  short: 'T. Hansmeier, T. Kenter, M. Meyer, H. Riebler, M. Platzner, C. Plessl, in:
    C.-J. Haake, F. Meyer auf der Heide, M. Platzner, H. Wachsmuth, H. Wehrheim (Eds.),
    On-The-Fly Computing -- Individualized IT-Services in Dynamic Markets, Heinz Nixdorf
    Institut, Universität Paderborn, Paderborn, 2023, pp. 165–182.'
date_created: 2023-07-07T08:15:45Z
date_updated: 2024-05-02T10:33:00Z
ddc:
- '004'
department:
- _id: '7'
- _id: '27'
- _id: '518'
- _id: '78'
doi: 10.5281/zenodo.8068642
editor:
- first_name: Claus-Jochen
  full_name: Haake, Claus-Jochen
  last_name: Haake
- first_name: Friedhelm
  full_name: Meyer auf der Heide, Friedhelm
  last_name: Meyer auf der Heide
- first_name: Marco
  full_name: Platzner, Marco
  last_name: Platzner
- first_name: Henning
  full_name: Wachsmuth, Henning
  last_name: Wachsmuth
- first_name: Heike
  full_name: Wehrheim, Heike
  last_name: Wehrheim
file:
- access_level: open_access
  content_type: application/pdf
  creator: florida
  date_created: 2023-07-07T08:15:35Z
  date_updated: 2023-07-07T11:17:33Z
  file_id: '45894'
  file_name: C2-Chapter-SFB-Buch-Final.pdf
  file_size: 2288788
  relation: main_file
file_date_updated: 2023-07-07T11:17:33Z
has_accepted_license: '1'
intvolume: '       412'
language:
- iso: eng
oa: '1'
page: 165-182
place: Paderborn
project:
- _id: '1'
  grant_number: '160364472'
  name: 'SFB 901: SFB 901: On-The-Fly Computing - Individualisierte IT-Dienstleistungen
    in dynamischen Märkten '
- _id: '4'
  name: 'SFB 901 - C: SFB 901 - Project Area C'
- _id: '14'
  grant_number: '160364472'
  name: 'SFB 901 - C2: SFB 901 - On-The-Fly Compute Centers I: Heterogene Ausführungsumgebungen
    (Subproject C2)'
publication: On-The-Fly Computing -- Individualized IT-services in dynamic markets
publisher: Heinz Nixdorf Institut, Universität Paderborn
series_title: Verlagsschriftenreihe des Heinz Nixdorf Instituts
status: public
title: 'Compute Centers I: Heterogeneous Execution Environments'
type: book_chapter
user_id: '398'
volume: 412
year: '2023'
...
---
_id: '38041'
abstract:
- lang: eng
  text: "<jats:p>While FPGA accelerator boards and their respective high-level design
    tools are maturing, there is still a lack of multi-FPGA applications, libraries,
    and not least, benchmarks and reference implementations towards sustained HPC
    usage of these devices. As in the early days of GPUs in HPC, for workloads that
    can reasonably be decoupled into loosely coupled working sets, multi-accelerator
    support can be achieved by using standard communication interfaces like MPI on
    the host side. However, for performance and productivity, some applications can
    profit from a tighter coupling of the accelerators. FPGAs offer unique opportunities
    here when extending the dataflow characteristics to their communication interfaces.</jats:p>\r\n
    \         <jats:p>In this work, we extend the HPCC FPGA benchmark suite by multi-FPGA
    support and three missing benchmarks that particularly characterize or stress
    inter-device communication: b_eff, PTRANS, and LINPACK. With all benchmarks implemented
    for current boards with Intel and Xilinx FPGAs, we established a baseline for
    multi-FPGA performance. Additionally, for the communication-centric benchmarks,
    we explored the potential of direct FPGA-to-FPGA communication with a circuit-switched
    inter-FPGA network that is currently only available for one of the boards. The
    evaluation with parallel execution on up to 26 FPGA boards makes use of one of
    the largest academic FPGA installations.</jats:p>"
author:
- first_name: Marius
  full_name: Meyer, Marius
  id: '40778'
  last_name: Meyer
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: Meyer M, Kenter T, Plessl C. Multi-FPGA Designs and Scaling of HPC Challenge
    Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks. <i>ACM Transactions
    on Reconfigurable Technology and Systems</i>. Published online 2023. doi:<a href="https://doi.org/10.1145/3576200">10.1145/3576200</a>
  apa: Meyer, M., Kenter, T., &#38; Plessl, C. (2023). Multi-FPGA Designs and Scaling
    of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks.
    <i>ACM Transactions on Reconfigurable Technology and Systems</i>. <a href="https://doi.org/10.1145/3576200">https://doi.org/10.1145/3576200</a>
  bibtex: '@article{Meyer_Kenter_Plessl_2023, title={Multi-FPGA Designs and Scaling
    of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks},
    DOI={<a href="https://doi.org/10.1145/3576200">10.1145/3576200</a>}, journal={ACM
    Transactions on Reconfigurable Technology and Systems}, publisher={Association
    for Computing Machinery (ACM)}, author={Meyer, Marius and Kenter, Tobias and Plessl,
    Christian}, year={2023} }'
  chicago: Meyer, Marius, Tobias Kenter, and Christian Plessl. “Multi-FPGA Designs
    and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA
    Networks.” <i>ACM Transactions on Reconfigurable Technology and Systems</i>, 2023.
    <a href="https://doi.org/10.1145/3576200">https://doi.org/10.1145/3576200</a>.
  ieee: 'M. Meyer, T. Kenter, and C. Plessl, “Multi-FPGA Designs and Scaling of HPC
    Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks,” <i>ACM
    Transactions on Reconfigurable Technology and Systems</i>, 2023, doi: <a href="https://doi.org/10.1145/3576200">10.1145/3576200</a>.'
  mla: Meyer, Marius, et al. “Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks
    via MPI and Circuit-Switched Inter-FPGA Networks.” <i>ACM Transactions on Reconfigurable
    Technology and Systems</i>, Association for Computing Machinery (ACM), 2023, doi:<a
    href="https://doi.org/10.1145/3576200">10.1145/3576200</a>.
  short: M. Meyer, T. Kenter, C. Plessl, ACM Transactions on Reconfigurable Technology
    and Systems (2023).
date_created: 2023-01-23T08:40:42Z
date_updated: 2023-07-28T08:02:05Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3576200
keyword:
- General Computer Science
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://dl.acm.org/doi/10.1145/3576200
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '4'
  name: 'SFB 901 - C: SFB 901 - Project Area C'
- _id: '1'
  grant_number: '160364472'
  name: 'SFB 901: SFB 901'
- _id: '14'
  grant_number: '160364472'
  name: 'SFB 901 - C2: SFB 901 - Subproject C2'
publication: ACM Transactions on Reconfigurable Technology and Systems
publication_identifier:
  issn:
  - 1936-7406
  - 1936-7414
publication_status: published
publisher: Association for Computing Machinery (ACM)
quality_controlled: '1'
status: public
title: Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched
  Inter-FPGA Networks
type: journal_article
user_id: '24135'
year: '2023'
...
---
_id: '43228'
abstract:
- lang: eng
  text: "The computation of electron repulsion integrals (ERIs) over Gaussian-type
    orbitals (GTOs) is a challenging problem in quantum-mechanics-based atomistic
    simulations. In practical simulations, several trillions of ERIs may have to be\r\ncomputed
    for every time step.\r\nIn this work, we investigate FPGAs as accelerators for
    the ERI computation. We use template parameters, here within the Intel oneAPI
    tool flow, to create customized designs for 256 different ERI quartet classes,
    based on their orbitals. To maximize data reuse, all intermediates are buffered
    in FPGA on-chip memory with customized layout. The pre-calculation of intermediates
    also helps to overcome data dependencies caused by multi-dimensional recurrence\r\nrelations.
    The involved loop structures are partially or even fully unrolled for high throughput
    of FPGA kernels. Furthermore, a lossy compression algorithm utilizing arbitrary
    bitwidth integers is integrated in the FPGA kernels. To our\r\nbest knowledge,
    this is the first work on ERI computation on FPGAs that supports more than just
    the single most basic quartet class. Also, the integration of ERI computation
    and compression it a novelty that is not even covered by CPU or GPU libraries
    so far.\r\nOur evaluation shows that using 16-bit integer for the ERI compression,
    the fastest FPGA kernels exceed the performance of 10 GERIS ($10 \\times 10^9$
    ERIs per second) on one Intel Stratix 10 GX 2800 FPGA, with maximum absolute errors
    around $10^{-7}$ - $10^{-5}$ Hartree. The measured throughput can be accurately
    explained by a performance model. The FPGA kernels deployed on 2 FPGAs outperform
    similar computations using the widely used libint reference on a two-socket server
    with 40 Xeon Gold 6148 CPU cores of the same process technology by factors up
    to 6.0x and on a new two-socket server with 128 EPYC 7713 CPU cores by up to 1.9x."
author:
- first_name: Xin
  full_name: Wu, Xin
  id: '77439'
  last_name: Wu
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: 'Wu X, Kenter T, Schade R, Kühne T, Plessl C. Computing and Compressing Electron
    Repulsion Integrals on FPGAs. In: <i>2023 IEEE 31st Annual International Symposium
    on Field-Programmable Custom Computing Machines (FCCM)</i>. ; 2023:162-173. doi:<a
    href="https://doi.org/10.1109/FCCM57271.2023.00026">10.1109/FCCM57271.2023.00026</a>'
  apa: Wu, X., Kenter, T., Schade, R., Kühne, T., &#38; Plessl, C. (2023). Computing
    and Compressing Electron Repulsion Integrals on FPGAs. <i>2023 IEEE 31st Annual
    International Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>,
    162–173. <a href="https://doi.org/10.1109/FCCM57271.2023.00026">https://doi.org/10.1109/FCCM57271.2023.00026</a>
  bibtex: '@inproceedings{Wu_Kenter_Schade_Kühne_Plessl_2023, title={Computing and
    Compressing Electron Repulsion Integrals on FPGAs}, DOI={<a href="https://doi.org/10.1109/FCCM57271.2023.00026">10.1109/FCCM57271.2023.00026</a>},
    booktitle={2023 IEEE 31st Annual International Symposium on Field-Programmable
    Custom Computing Machines (FCCM)}, author={Wu, Xin and Kenter, Tobias and Schade,
    Robert and Kühne, Thomas and Plessl, Christian}, year={2023}, pages={162–173}
    }'
  chicago: Wu, Xin, Tobias Kenter, Robert Schade, Thomas Kühne, and Christian Plessl.
    “Computing and Compressing Electron Repulsion Integrals on FPGAs.” In <i>2023
    IEEE 31st Annual International Symposium on Field-Programmable Custom Computing
    Machines (FCCM)</i>, 162–73, 2023. <a href="https://doi.org/10.1109/FCCM57271.2023.00026">https://doi.org/10.1109/FCCM57271.2023.00026</a>.
  ieee: 'X. Wu, T. Kenter, R. Schade, T. Kühne, and C. Plessl, “Computing and Compressing
    Electron Repulsion Integrals on FPGAs,” in <i>2023 IEEE 31st Annual International
    Symposium on Field-Programmable Custom Computing Machines (FCCM)</i>, 2023, pp.
    162–173, doi: <a href="https://doi.org/10.1109/FCCM57271.2023.00026">10.1109/FCCM57271.2023.00026</a>.'
  mla: Wu, Xin, et al. “Computing and Compressing Electron Repulsion Integrals on
    FPGAs.” <i>2023 IEEE 31st Annual International Symposium on Field-Programmable
    Custom Computing Machines (FCCM)</i>, 2023, pp. 162–73, doi:<a href="https://doi.org/10.1109/FCCM57271.2023.00026">10.1109/FCCM57271.2023.00026</a>.
  short: 'X. Wu, T. Kenter, R. Schade, T. Kühne, C. Plessl, in: 2023 IEEE 31st Annual
    International Symposium on Field-Programmable Custom Computing Machines (FCCM),
    2023, pp. 162–173.'
date_created: 2023-03-30T11:15:40Z
date_updated: 2023-08-02T15:05:42Z
department:
- _id: '27'
- _id: '518'
doi: 10.1109/FCCM57271.2023.00026
external_id:
  arxiv:
  - '2303.13632'
language:
- iso: eng
main_file_link:
- url: https://ieeexplore.ieee.org/document/10171537
page: 162-173
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 2023 IEEE 31st Annual International Symposium on Field-Programmable Custom
  Computing Machines (FCCM)
quality_controlled: '1'
status: public
title: Computing and Compressing Electron Repulsion Integrals on FPGAs
type: conference
user_id: '75963'
year: '2023'
...
---
_id: '45361'
abstract:
- lang: eng
  text: <jats:p> The non-orthogonal local submatrix method applied to electronic structure–based
    molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32-mixed
    floating-point arithmetic when using 4400 NVIDIA A100 GPUs of the Perlmutter system.
    This is enabled by a modification of the original method that pushes the sustained
    fraction of the peak performance to about 80%. Example calculations are performed
    for SARS-CoV-2 spike proteins with up to 83 million atoms. </jats:p>
article_number: '109434202311776'
article_type: original
author:
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Hossam
  full_name: Elgabarty, Hossam
  id: '60250'
  last_name: Elgabarty
  orcid: 0000-0002-4945-1481
- first_name: Michael
  full_name: Lass, Michael
  id: '24135'
  last_name: Lass
  orcid: 0000-0002-5708-7632
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
citation:
  ama: Schade R, Kenter T, Elgabarty H, Lass M, Kühne T, Plessl C. Breaking the exascale
    barrier for the electronic structure problem in ab-initio molecular dynamics.
    <i>The International Journal of High Performance Computing Applications</i>. Published
    online 2023. doi:<a href="https://doi.org/10.1177/10943420231177631">10.1177/10943420231177631</a>
  apa: Schade, R., Kenter, T., Elgabarty, H., Lass, M., Kühne, T., &#38; Plessl, C.
    (2023). Breaking the exascale barrier for the electronic structure problem in
    ab-initio molecular dynamics. <i>The International Journal of High Performance
    Computing Applications</i>, Article 109434202311776. <a href="https://doi.org/10.1177/10943420231177631">https://doi.org/10.1177/10943420231177631</a>
  bibtex: '@article{Schade_Kenter_Elgabarty_Lass_Kühne_Plessl_2023, title={Breaking
    the exascale barrier for the electronic structure problem in ab-initio molecular
    dynamics}, DOI={<a href="https://doi.org/10.1177/10943420231177631">10.1177/10943420231177631</a>},
    number={109434202311776}, journal={The International Journal of High Performance
    Computing Applications}, publisher={SAGE Publications}, author={Schade, Robert
    and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Kühne, Thomas and
    Plessl, Christian}, year={2023} }'
  chicago: Schade, Robert, Tobias Kenter, Hossam Elgabarty, Michael Lass, Thomas Kühne,
    and Christian Plessl. “Breaking the Exascale Barrier for the Electronic Structure
    Problem in Ab-Initio Molecular Dynamics.” <i>The International Journal of High
    Performance Computing Applications</i>, 2023. <a href="https://doi.org/10.1177/10943420231177631">https://doi.org/10.1177/10943420231177631</a>.
  ieee: 'R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, and C. Plessl, “Breaking
    the exascale barrier for the electronic structure problem in ab-initio molecular
    dynamics,” <i>The International Journal of High Performance Computing Applications</i>,
    Art. no. 109434202311776, 2023, doi: <a href="https://doi.org/10.1177/10943420231177631">10.1177/10943420231177631</a>.'
  mla: Schade, Robert, et al. “Breaking the Exascale Barrier for the Electronic Structure
    Problem in Ab-Initio Molecular Dynamics.” <i>The International Journal of High
    Performance Computing Applications</i>, 109434202311776, SAGE Publications, 2023,
    doi:<a href="https://doi.org/10.1177/10943420231177631">10.1177/10943420231177631</a>.
  short: R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, C. Plessl, The International
    Journal of High Performance Computing Applications (2023).
date_created: 2023-05-30T09:19:09Z
date_updated: 2023-08-02T15:04:53Z
department:
- _id: '27'
- _id: '518'
doi: 10.1177/10943420231177631
keyword:
- Hardware and Architecture
- Theoretical Computer Science
- Software
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://journals.sagepub.com/doi/10.1177/10943420231177631
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: The International Journal of High Performance Computing Applications
publication_identifier:
  issn:
  - 1094-3420
  - 1741-2846
publication_status: published
publisher: SAGE Publications
quality_controlled: '1'
status: public
title: Breaking the exascale barrier for the electronic structure problem in ab-initio
  molecular dynamics
type: journal_article
user_id: '75963'
year: '2023'
...
---
_id: '46191'
author:
- first_name: Christoph
  full_name: Alt, Christoph
  id: '100625'
  last_name: Alt
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
- first_name: Sara
  full_name: Faghih-Naini, Sara
  last_name: Faghih-Naini
- first_name: Jennifer
  full_name: Faj, Jennifer
  id: '78722'
  last_name: Faj
- first_name: Jan-Oliver
  full_name: Opdenhövel, Jan-Oliver
  id: '73960'
  last_name: Opdenhövel
  orcid: 0000-0003-2314-2784
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Vadym
  full_name: Aizinger, Vadym
  last_name: Aizinger
- first_name: Jan
  full_name: Hönig, Jan
  last_name: Hönig
- first_name: Harald
  full_name: Köstler, Harald
  last_name: Köstler
citation:
  ama: 'Alt C, Kenter T, Faghih-Naini S, et al. Shallow Water DG Simulations on FPGAs:
    Design and Comparison of a Novel Code Generation Pipeline. In: <i>Lecture Notes
    in Computer Science</i>. Springer Nature Switzerland; 2023. doi:<a href="https://doi.org/10.1007/978-3-031-32041-5_5">10.1007/978-3-031-32041-5_5</a>'
  apa: 'Alt, C., Kenter, T., Faghih-Naini, S., Faj, J., Opdenhövel, J.-O., Plessl,
    C., Aizinger, V., Hönig, J., &#38; Köstler, H. (2023). Shallow Water DG Simulations
    on FPGAs: Design and Comparison of a Novel Code Generation Pipeline. In <i>Lecture
    Notes in Computer Science</i>. Springer Nature Switzerland. <a href="https://doi.org/10.1007/978-3-031-32041-5_5">https://doi.org/10.1007/978-3-031-32041-5_5</a>'
  bibtex: '@inbook{Alt_Kenter_Faghih-Naini_Faj_Opdenhövel_Plessl_Aizinger_Hönig_Köstler_2023,
    place={Cham}, title={Shallow Water DG Simulations on FPGAs: Design and Comparison
    of a Novel Code Generation Pipeline}, DOI={<a href="https://doi.org/10.1007/978-3-031-32041-5_5">10.1007/978-3-031-32041-5_5</a>},
    booktitle={Lecture Notes in Computer Science}, publisher={Springer Nature Switzerland},
    author={Alt, Christoph and Kenter, Tobias and Faghih-Naini, Sara and Faj, Jennifer
    and Opdenhövel, Jan-Oliver and Plessl, Christian and Aizinger, Vadym and Hönig,
    Jan and Köstler, Harald}, year={2023} }'
  chicago: 'Alt, Christoph, Tobias Kenter, Sara Faghih-Naini, Jennifer Faj, Jan-Oliver
    Opdenhövel, Christian Plessl, Vadym Aizinger, Jan Hönig, and Harald Köstler. “Shallow
    Water DG Simulations on FPGAs: Design and Comparison of a Novel Code Generation
    Pipeline.” In <i>Lecture Notes in Computer Science</i>. Cham: Springer Nature
    Switzerland, 2023. <a href="https://doi.org/10.1007/978-3-031-32041-5_5">https://doi.org/10.1007/978-3-031-32041-5_5</a>.'
  ieee: 'C. Alt <i>et al.</i>, “Shallow Water DG Simulations on FPGAs: Design and Comparison
    of a Novel Code Generation Pipeline,” in <i>Lecture Notes in Computer Science</i>,
    Cham: Springer Nature Switzerland, 2023.'
  mla: 'Alt, Christoph, et al. “Shallow Water DG Simulations on FPGAs: Design and Comparison
    of a Novel Code Generation Pipeline.” <i>Lecture Notes in Computer Science</i>,
    Springer Nature Switzerland, 2023, doi:<a href="https://doi.org/10.1007/978-3-031-32041-5_5">10.1007/978-3-031-32041-5_5</a>.'
  short: 'C. Alt, T. Kenter, S. Faghih-Naini, J. Faj, J.-O. Opdenhövel, C. Plessl,
    V. Aizinger, J. Hönig, H. Köstler, in: Lecture Notes in Computer Science, Springer
    Nature Switzerland, Cham, 2023.'
date_created: 2023-07-28T09:53:21Z
date_updated: 2025-11-04T09:32:49Z
department:
- _id: '27'
- _id: '518'
doi: 10.1007/978-3-031-32041-5_5
language:
- iso: eng
place: Cham
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Lecture Notes in Computer Science
publication_identifier:
  isbn:
  - '9783031320408'
  - '9783031320415'
  issn:
  - 0302-9743
  - 1611-3349
publication_status: published
publisher: Springer Nature Switzerland
quality_controlled: '1'
status: public
title: 'Shallow Water DG Simulations on FPGAs: Design and Comparison of a Novel Code
  Generation Pipeline'
type: book_chapter
user_id: '3145'
year: '2023'
...
---
_id: '46190'
author:
- first_name: Jan-Oliver
  full_name: Opdenhövel, Jan-Oliver
  id: '73960'
  last_name: Opdenhövel
  orcid: 0000-0003-2314-2784
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Tobias
  full_name: Kenter, Tobias
  id: '3145'
  last_name: Kenter
citation:
  ama: 'Opdenhövel J-O, Plessl C, Kenter T. Mutation Tree Reconstruction of Tumor
    Cells on FPGAs Using a Bit-Level Matrix Representation. In: <i>Proceedings of
    the 13th International Symposium on Highly Efficient Accelerators and Reconfigurable
    Technologies (HEART)</i>. ACM; 2023. doi:<a href="https://doi.org/10.1145/3597031.3597050">10.1145/3597031.3597050</a>'
  apa: Opdenhövel, J.-O., Plessl, C., &#38; Kenter, T. (2023). Mutation Tree Reconstruction
    of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation. <i>Proceedings
    of the 13th International Symposium on Highly Efficient Accelerators and Reconfigurable
    Technologies (HEART)</i>. <a href="https://doi.org/10.1145/3597031.3597050">https://doi.org/10.1145/3597031.3597050</a>
  bibtex: '@inproceedings{Opdenhövel_Plessl_Kenter_2023, title={Mutation Tree Reconstruction
    of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation}, DOI={<a href="https://doi.org/10.1145/3597031.3597050">10.1145/3597031.3597050</a>},
    booktitle={Proceedings of the 13th International Symposium on Highly Efficient
    Accelerators and Reconfigurable Technologies (HEART)}, publisher={ACM}, author={Opdenhövel,
    Jan-Oliver and Plessl, Christian and Kenter, Tobias}, year={2023} }'
  chicago: Opdenhövel, Jan-Oliver, Christian Plessl, and Tobias Kenter. “Mutation
    Tree Reconstruction of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation.”
    In <i>Proceedings of the 13th International Symposium on Highly Efficient Accelerators
    and Reconfigurable Technologies (HEART)</i>. ACM, 2023. <a href="https://doi.org/10.1145/3597031.3597050">https://doi.org/10.1145/3597031.3597050</a>.
  ieee: 'J.-O. Opdenhövel, C. Plessl, and T. Kenter, “Mutation Tree Reconstruction
    of Tumor Cells on FPGAs Using a Bit-Level Matrix Representation,” 2023, doi: <a
    href="https://doi.org/10.1145/3597031.3597050">10.1145/3597031.3597050</a>.'
  mla: Opdenhövel, Jan-Oliver, et al. “Mutation Tree Reconstruction of Tumor Cells
    on FPGAs Using a Bit-Level Matrix Representation.” <i>Proceedings of the 13th
    International Symposium on Highly Efficient Accelerators and Reconfigurable Technologies
    (HEART)</i>, ACM, 2023, doi:<a href="https://doi.org/10.1145/3597031.3597050">10.1145/3597031.3597050</a>.
  short: 'J.-O. Opdenhövel, C. Plessl, T. Kenter, in: Proceedings of the 13th International
    Symposium on Highly Efficient Accelerators and Reconfigurable Technologies (HEART),
    ACM, 2023.'
date_created: 2023-07-28T09:49:23Z
date_updated: 2025-11-04T09:32:30Z
department:
- _id: '27'
- _id: '518'
doi: 10.1145/3597031.3597050
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://dl.acm.org/doi/pdf/10.1145/3597031.3597050
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Proceedings of the 13th International Symposium on Highly Efficient Accelerators
  and Reconfigurable Technologies (HEART)
publication_status: published
publisher: ACM
quality_controlled: '1'
status: public
title: Mutation Tree Reconstruction of Tumor Cells on FPGAs Using a Bit-Level Matrix
  Representation
type: conference
user_id: '3145'
year: '2023'
...
---
_id: '32414'
author:
- first_name: Michael
  full_name: Lass, Michael
  id: '24135'
  last_name: Lass
  orcid: 0000-0002-5708-7632
citation:
  ama: Lass M. <i>Bringing Massive Parallelism and Hardware Acceleration to Linear
    Scaling Density Functional Theory Through Targeted Approximations</i>. Universität
    Paderborn; 2022. doi:<a href="https://doi.org/10.17619/UNIPB/1-1281">10.17619/UNIPB/1-1281</a>
  apa: Lass, M. (2022). <i>Bringing Massive Parallelism and Hardware Acceleration
    to Linear Scaling Density Functional Theory Through Targeted Approximations</i>.
    Universität Paderborn. <a href="https://doi.org/10.17619/UNIPB/1-1281">https://doi.org/10.17619/UNIPB/1-1281</a>
  bibtex: '@book{Lass_2022, place={Paderborn}, title={Bringing Massive Parallelism
    and Hardware Acceleration to Linear Scaling Density Functional Theory Through
    Targeted Approximations}, DOI={<a href="https://doi.org/10.17619/UNIPB/1-1281">10.17619/UNIPB/1-1281</a>},
    publisher={Universität Paderborn}, author={Lass, Michael}, year={2022} }'
  chicago: 'Lass, Michael. <i>Bringing Massive Parallelism and Hardware Acceleration
    to Linear Scaling Density Functional Theory Through Targeted Approximations</i>.
    Paderborn: Universität Paderborn, 2022. <a href="https://doi.org/10.17619/UNIPB/1-1281">https://doi.org/10.17619/UNIPB/1-1281</a>.'
  ieee: 'M. Lass, <i>Bringing Massive Parallelism and Hardware Acceleration to Linear
    Scaling Density Functional Theory Through Targeted Approximations</i>. Paderborn:
    Universität Paderborn, 2022.'
  mla: Lass, Michael. <i>Bringing Massive Parallelism and Hardware Acceleration to
    Linear Scaling Density Functional Theory Through Targeted Approximations</i>.
    Universität Paderborn, 2022, doi:<a href="https://doi.org/10.17619/UNIPB/1-1281">10.17619/UNIPB/1-1281</a>.
  short: M. Lass, Bringing Massive Parallelism and Hardware Acceleration to Linear
    Scaling Density Functional Theory Through Targeted Approximations, Universität
    Paderborn, Paderborn, 2022.
date_created: 2022-07-25T18:13:51Z
date_updated: 2022-07-25T18:14:23Z
department:
- _id: '27'
- _id: '518'
doi: 10.17619/UNIPB/1-1281
language:
- iso: eng
place: Paderborn
publisher: Universität Paderborn
status: public
supervisor:
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
title: Bringing Massive Parallelism and Hardware Acceleration to Linear Scaling Density
  Functional Theory Through Targeted Approximations
type: dissertation
user_id: '24135'
year: '2022'
...
---
_id: '33493'
abstract:
- lang: eng
  text: "Electronic structure calculations have been instrumental in providing many\r\nimportant
    insights into a range of physical and chemical properties of various\r\nmolecular
    and solid-state systems. Their importance to various fields,\r\nincluding materials
    science, chemical sciences, computational chemistry and\r\ndevice physics, is
    underscored by the large fraction of available public\r\nsupercomputing resources
    devoted to these calculations. As we enter the\r\nexascale era, exciting new opportunities
    to increase simulation numbers, sizes,\r\nand accuracies present themselves. In
    order to realize these promises, the\r\ncommunity of electronic structure software
    developers will however first have\r\nto tackle a number of challenges pertaining
    to the efficient use of new\r\narchitectures that will rely heavily on massive
    parallelism and hardware\r\naccelerators. This roadmap provides a broad overview
    of the state-of-the-art in\r\nelectronic structure calculations and of the various
    new directions being\r\npursued by the community. It covers 14 electronic structure
    codes, presenting\r\ntheir current status, their development priorities over the
    next five years,\r\nand their plans towards tackling the challenges and leveraging
    the\r\nopportunities presented by the advent of exascale computing."
author:
- first_name: Vikram
  full_name: Gavini, Vikram
  last_name: Gavini
- first_name: Stefano
  full_name: Baroni, Stefano
  last_name: Baroni
- first_name: Volker
  full_name: Blum, Volker
  last_name: Blum
- first_name: David R.
  full_name: Bowler, David R.
  last_name: Bowler
- first_name: Alexander
  full_name: Buccheri, Alexander
  last_name: Buccheri
- first_name: James R.
  full_name: Chelikowsky, James R.
  last_name: Chelikowsky
- first_name: Sambit
  full_name: Das, Sambit
  last_name: Das
- first_name: William
  full_name: Dawson, William
  last_name: Dawson
- first_name: Pietro
  full_name: Delugas, Pietro
  last_name: Delugas
- first_name: Mehmet
  full_name: Dogan, Mehmet
  last_name: Dogan
- first_name: Claudia
  full_name: Draxl, Claudia
  last_name: Draxl
- first_name: Giulia
  full_name: Galli, Giulia
  last_name: Galli
- first_name: Luigi
  full_name: Genovese, Luigi
  last_name: Genovese
- first_name: Paolo
  full_name: Giannozzi, Paolo
  last_name: Giannozzi
- first_name: Matteo
  full_name: Giantomassi, Matteo
  last_name: Giantomassi
- first_name: Xavier
  full_name: Gonze, Xavier
  last_name: Gonze
- first_name: Marco
  full_name: Govoni, Marco
  last_name: Govoni
- first_name: Andris
  full_name: Gulans, Andris
  last_name: Gulans
- first_name: François
  full_name: Gygi, François
  last_name: Gygi
- first_name: John M.
  full_name: Herbert, John M.
  last_name: Herbert
- first_name: Sebastian
  full_name: Kokott, Sebastian
  last_name: Kokott
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Kai-Hsin
  full_name: Liou, Kai-Hsin
  last_name: Liou
- first_name: Tsuyoshi
  full_name: Miyazaki, Tsuyoshi
  last_name: Miyazaki
- first_name: Phani
  full_name: Motamarri, Phani
  last_name: Motamarri
- first_name: Ayako
  full_name: Nakata, Ayako
  last_name: Nakata
- first_name: John E.
  full_name: Pask, John E.
  last_name: Pask
- first_name: Christian
  full_name: Plessl, Christian
  id: '16153'
  last_name: Plessl
  orcid: 0000-0001-5728-9982
- first_name: Laura E.
  full_name: Ratcliff, Laura E.
  last_name: Ratcliff
- first_name: Ryan M.
  full_name: Richard, Ryan M.
  last_name: Richard
- first_name: Mariana
  full_name: Rossi, Mariana
  last_name: Rossi
- first_name: Robert
  full_name: Schade, Robert
  id: '75963'
  last_name: Schade
  orcid: 0000-0002-6268-539
- first_name: Matthias
  full_name: Scheffler, Matthias
  last_name: Scheffler
- first_name: Ole
  full_name: Schütt, Ole
  last_name: Schütt
- first_name: Phanish
  full_name: Suryanarayana, Phanish
  last_name: Suryanarayana
- first_name: Marc
  full_name: Torrent, Marc
  last_name: Torrent
- first_name: Lionel
  full_name: Truflandier, Lionel
  last_name: Truflandier
- first_name: Theresa L.
  full_name: Windus, Theresa L.
  last_name: Windus
- first_name: Qimen
  full_name: Xu, Qimen
  last_name: Xu
- first_name: Victor W. -Z.
  full_name: Yu, Victor W. -Z.
  last_name: Yu
- first_name: Danny
  full_name: Perez, Danny
  last_name: Perez
citation:
  ama: Gavini V, Baroni S, Blum V, et al. Roadmap on Electronic Structure Codes in
    the Exascale Era. <i>arXiv:220912747</i>. Published online 2022.
  apa: Gavini, V., Baroni, S., Blum, V., Bowler, D. R., Buccheri, A., Chelikowsky,
    J. R., Das, S., Dawson, W., Delugas, P., Dogan, M., Draxl, C., Galli, G., Genovese,
    L., Giannozzi, P., Giantomassi, M., Gonze, X., Govoni, M., Gulans, A., Gygi, F.,
    … Perez, D. (2022). Roadmap on Electronic Structure Codes in the Exascale Era.
    In <i>arXiv:2209.12747</i>.
  bibtex: '@article{Gavini_Baroni_Blum_Bowler_Buccheri_Chelikowsky_Das_Dawson_Delugas_Dogan_et
    al._2022, title={Roadmap on Electronic Structure Codes in the Exascale Era}, journal={arXiv:2209.12747},
    author={Gavini, Vikram and Baroni, Stefano and Blum, Volker and Bowler, David
    R. and Buccheri, Alexander and Chelikowsky, James R. and Das, Sambit and Dawson,
    William and Delugas, Pietro and Dogan, Mehmet and et al.}, year={2022} }'
  chicago: Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander
    Buccheri, James R. Chelikowsky, Sambit Das, et al. “Roadmap on Electronic Structure
    Codes in the Exascale Era.” <i>ArXiv:2209.12747</i>, 2022.
  ieee: V. Gavini <i>et al.</i>, “Roadmap on Electronic Structure Codes in the Exascale
    Era,” <i>arXiv:2209.12747</i>. 2022.
  mla: Gavini, Vikram, et al. “Roadmap on Electronic Structure Codes in the Exascale
    Era.” <i>ArXiv:2209.12747</i>, 2022.
  short: V. Gavini, S. Baroni, V. Blum, D.R. Bowler, A. Buccheri, J.R. Chelikowsky,
    S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi,
    M. Giantomassi, X. Gonze, M. Govoni, A. Gulans, F. Gygi, J.M. Herbert, S. Kokott,
    T. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J.E. Pask, C. Plessl,
    L.E. Ratcliff, R.M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P.
    Suryanarayana, M. Torrent, L. Truflandier, T.L. Windus, Q. Xu, V.W.-Z. Yu, D.
    Perez, ArXiv:2209.12747 (2022).
date_created: 2022-09-28T05:25:10Z
date_updated: 2023-07-28T08:03:41Z
department:
- _id: '27'
- _id: '518'
external_id:
  arxiv:
  - '2209.12747'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: arXiv:2209.12747
status: public
title: Roadmap on Electronic Structure Codes in the Exascale Era
type: preprint
user_id: '24135'
year: '2022'
...
