Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model
Drip-line nuclei have very different properties from those of the valley of stability, as they are weakly bound and resonant. Therefore, the models devised for stable nuclei can no longer be applied therein. Hence, a new theoretical tool, the Gamow Shell Model (GSM), has been developed to study the...
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description | Drip-line nuclei have very different properties from those of the valley of stability, as they are weakly bound and resonant. Therefore, the models devised for stable nuclei can no longer be applied therein. Hence, a new theoretical tool, the Gamow Shell Model (GSM), has been developed to study the many-body states occurring at the limits of the nuclear chart. GSM is a configuration interaction model based on the use of the so-called Berggren basis, which contains bound, resonant and scattering states, so that inter-nucleon correlations are fully taken into account and the asymptotes of extended many-body wave functions are precisely handled. However, large complex symmetric matrices must be diagonalized in this framework, therefore the use of very powerful parallel machines is needed therein. In order to fully take advantage of their power, a 2D partitioning scheme using hybrid MPI/OpenMP parallelization has been developed in our GSM code. The specificities of the 2D partitioning scheme in the GSM framework will be described and illustrated with numerical examples. It will then be shown that the introduction of this scheme in the GSM code greatly enhances its capabilities. |
doi_str_mv | 10.1016/j.cpc.2019.106978 |
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Therefore, the models devised for stable nuclei can no longer be applied therein. Hence, a new theoretical tool, the Gamow Shell Model (GSM), has been developed to study the many-body states occurring at the limits of the nuclear chart. GSM is a configuration interaction model based on the use of the so-called Berggren basis, which contains bound, resonant and scattering states, so that inter-nucleon correlations are fully taken into account and the asymptotes of extended many-body wave functions are precisely handled. However, large complex symmetric matrices must be diagonalized in this framework, therefore the use of very powerful parallel machines is needed therein. In order to fully take advantage of their power, a 2D partitioning scheme using hybrid MPI/OpenMP parallelization has been developed in our GSM code. The specificities of the 2D partitioning scheme in the GSM framework will be described and illustrated with numerical examples. It will then be shown that the introduction of this scheme in the GSM code greatly enhances its capabilities.</description><identifier>ISSN: 0010-4655</identifier><identifier>EISSN: 1879-2944</identifier><identifier>DOI: 10.1016/j.cpc.2019.106978</identifier><language>eng</language><publisher>Elsevier B.V</publisher><subject>2D partitioning ; Configuration interaction ; MPI/openMP hybrid parallelization ; Nuclear Theory ; Physics</subject><ispartof>Computer physics communications, 2020-02, Vol.247, p.106978, Article 106978</ispartof><rights>2019 Elsevier B.V.</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c374t-8828f5607ebd1cb3a29328eca536ffbf80b660873219c42ac5cc7502224b47ea3</citedby><cites>FETCH-LOGICAL-c374t-8828f5607ebd1cb3a29328eca536ffbf80b660873219c42ac5cc7502224b47ea3</cites><orcidid>0000-0003-4214-8620 ; 0000-0003-3061-6378</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.cpc.2019.106978$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>230,314,780,784,885,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttps://hal.science/hal-02475203$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Michel, N.</creatorcontrib><creatorcontrib>Aktulga, H.M.</creatorcontrib><creatorcontrib>Jaganathen, Y.</creatorcontrib><title>Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model</title><title>Computer physics communications</title><description>Drip-line nuclei have very different properties from those of the valley of stability, as they are weakly bound and resonant. Therefore, the models devised for stable nuclei can no longer be applied therein. Hence, a new theoretical tool, the Gamow Shell Model (GSM), has been developed to study the many-body states occurring at the limits of the nuclear chart. GSM is a configuration interaction model based on the use of the so-called Berggren basis, which contains bound, resonant and scattering states, so that inter-nucleon correlations are fully taken into account and the asymptotes of extended many-body wave functions are precisely handled. However, large complex symmetric matrices must be diagonalized in this framework, therefore the use of very powerful parallel machines is needed therein. In order to fully take advantage of their power, a 2D partitioning scheme using hybrid MPI/OpenMP parallelization has been developed in our GSM code. The specificities of the 2D partitioning scheme in the GSM framework will be described and illustrated with numerical examples. It will then be shown that the introduction of this scheme in the GSM code greatly enhances its capabilities.</description><subject>2D partitioning</subject><subject>Configuration interaction</subject><subject>MPI/openMP hybrid parallelization</subject><subject>Nuclear Theory</subject><subject>Physics</subject><issn>0010-4655</issn><issn>1879-2944</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kD1PwzAQhi0EEqXwA9i8MqTYzocdMVUVtEhFDJTZci4XmsqJi520yr8nVREj0-levc9J9xByz9mMM5497mawh5lgPB_3LJfqgky4knkk8iS5JBPGOIuSLE2vyU0IO8aYlHk8IbBxR-NLGsBYU1ikjWmHqHDlQMcEemu62rWBVs7TtgeLxlO3x5Z-96bt-oaGIXTYBNqHuv2i3Rbp0jTuSD-2aC19cyXaW3JVGRvw7ndOyefL82axitbvy9fFfB1BLJMuUkqoKs2YxKLkUMRG5LFQCCaNs6oqKsWKLGNKxoLnkAgDKYBMmRAiKRKJJp6Sh_PdrbF67-vG-EE7U-vVfK1PGROJTAWLD3zs8nMXvAvBY_UHcKZPRvVOj0b1yag-Gx2ZpzOD4xOHGr0OUGMLWNYeodOlq_-hfwDksn6k</recordid><startdate>20200201</startdate><enddate>20200201</enddate><creator>Michel, N.</creator><creator>Aktulga, H.M.</creator><creator>Jaganathen, Y.</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>AAYXX</scope><scope>CITATION</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0003-4214-8620</orcidid><orcidid>https://orcid.org/0000-0003-3061-6378</orcidid></search><sort><creationdate>20200201</creationdate><title>Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model</title><author>Michel, N. ; Aktulga, H.M. ; Jaganathen, Y.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c374t-8828f5607ebd1cb3a29328eca536ffbf80b660873219c42ac5cc7502224b47ea3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>2D partitioning</topic><topic>Configuration interaction</topic><topic>MPI/openMP hybrid parallelization</topic><topic>Nuclear Theory</topic><topic>Physics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Michel, N.</creatorcontrib><creatorcontrib>Aktulga, H.M.</creatorcontrib><creatorcontrib>Jaganathen, Y.</creatorcontrib><collection>CrossRef</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Computer physics communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Michel, N.</au><au>Aktulga, H.M.</au><au>Jaganathen, Y.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model</atitle><jtitle>Computer physics communications</jtitle><date>2020-02-01</date><risdate>2020</risdate><volume>247</volume><spage>106978</spage><pages>106978-</pages><artnum>106978</artnum><issn>0010-4655</issn><eissn>1879-2944</eissn><abstract>Drip-line nuclei have very different properties from those of the valley of stability, as they are weakly bound and resonant. Therefore, the models devised for stable nuclei can no longer be applied therein. Hence, a new theoretical tool, the Gamow Shell Model (GSM), has been developed to study the many-body states occurring at the limits of the nuclear chart. GSM is a configuration interaction model based on the use of the so-called Berggren basis, which contains bound, resonant and scattering states, so that inter-nucleon correlations are fully taken into account and the asymptotes of extended many-body wave functions are precisely handled. However, large complex symmetric matrices must be diagonalized in this framework, therefore the use of very powerful parallel machines is needed therein. In order to fully take advantage of their power, a 2D partitioning scheme using hybrid MPI/OpenMP parallelization has been developed in our GSM code. The specificities of the 2D partitioning scheme in the GSM framework will be described and illustrated with numerical examples. 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subjects | 2D partitioning Configuration interaction MPI/openMP hybrid parallelization Nuclear Theory Physics |
title | Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model |
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