Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure
Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Hu, Changjun [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2017transfer abstract |
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| Umfang: |
6 |
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| Übergeordnetes Werk: |
Enthalten in: Sa1070 Epidemiology of Gastroesophageal Reflux (GERD) Symptoms in Mexico. A Nationwide Population Based Study - Remes-Troche, Jose Maria ELSEVIER, 2014, an international journal for computational physics and physical chemistry, Amsterdam |
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| Übergeordnetes Werk: |
volume:211 ; year:2017 ; pages:73-78 ; extent:6 |
| Links: |
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| DOI / URN: |
10.1016/j.cpc.2016.07.011 |
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| 520 | |a Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. | ||
| 520 | |a Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. | ||
| 650 | 7 | |a High-performance computing |2 Elsevier | |
| 650 | 7 | |a Molecular dynamics |2 Elsevier | |
| 650 | 7 | |a Data structure |2 Elsevier | |
| 650 | 7 | |a Irradiation environment |2 Elsevier | |
| 700 | 1 | |a Bai, He |4 oth | |
| 700 | 1 | |a He, Xinfu |4 oth | |
| 700 | 1 | |a Zhang, Boyao |4 oth | |
| 700 | 1 | |a Nie, Ningming |4 oth | |
| 700 | 1 | |a Wang, Xianmeng |4 oth | |
| 700 | 1 | |a Ren, Yingwen |4 oth | |
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10.1016/j.cpc.2016.07.011 doi GBV00000000000052A.pica (DE-627)ELV030771927 (ELSEVIER)S0010-4655(16)30193-X DE-627 ger DE-627 rakwb eng 004 530 004 DE-600 530 DE-600 610 VZ 570 VZ BIODIV DE-30 fid 35.70 bkl 42.12 bkl 42.15 bkl Hu, Changjun verfasserin aut Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure 2017transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. High-performance computing Elsevier Molecular dynamics Elsevier Data structure Elsevier Irradiation environment Elsevier Bai, He oth He, Xinfu oth Zhang, Boyao oth Nie, Ningming oth Wang, Xianmeng oth Ren, Yingwen oth Enthalten in North Holland Publ. Co Remes-Troche, Jose Maria ELSEVIER Sa1070 Epidemiology of Gastroesophageal Reflux (GERD) Symptoms in Mexico. A Nationwide Population Based Study 2014 an international journal for computational physics and physical chemistry Amsterdam (DE-627)ELV012614815 volume:211 year:2017 pages:73-78 extent:6 https://doi.org/10.1016/j.cpc.2016.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA GBV_ILN_22 GBV_ILN_40 GBV_ILN_105 35.70 Biochemie: Allgemeines VZ 42.12 Biophysik VZ 42.15 Zellbiologie VZ AR 211 2017 73-78 6 045F 004 |
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10.1016/j.cpc.2016.07.011 doi GBV00000000000052A.pica (DE-627)ELV030771927 (ELSEVIER)S0010-4655(16)30193-X DE-627 ger DE-627 rakwb eng 004 530 004 DE-600 530 DE-600 610 VZ 570 VZ BIODIV DE-30 fid 35.70 bkl 42.12 bkl 42.15 bkl Hu, Changjun verfasserin aut Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure 2017transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. High-performance computing Elsevier Molecular dynamics Elsevier Data structure Elsevier Irradiation environment Elsevier Bai, He oth He, Xinfu oth Zhang, Boyao oth Nie, Ningming oth Wang, Xianmeng oth Ren, Yingwen oth Enthalten in North Holland Publ. Co Remes-Troche, Jose Maria ELSEVIER Sa1070 Epidemiology of Gastroesophageal Reflux (GERD) Symptoms in Mexico. A Nationwide Population Based Study 2014 an international journal for computational physics and physical chemistry Amsterdam (DE-627)ELV012614815 volume:211 year:2017 pages:73-78 extent:6 https://doi.org/10.1016/j.cpc.2016.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA GBV_ILN_22 GBV_ILN_40 GBV_ILN_105 35.70 Biochemie: Allgemeines VZ 42.12 Biophysik VZ 42.15 Zellbiologie VZ AR 211 2017 73-78 6 045F 004 |
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10.1016/j.cpc.2016.07.011 doi GBV00000000000052A.pica (DE-627)ELV030771927 (ELSEVIER)S0010-4655(16)30193-X DE-627 ger DE-627 rakwb eng 004 530 004 DE-600 530 DE-600 610 VZ 570 VZ BIODIV DE-30 fid 35.70 bkl 42.12 bkl 42.15 bkl Hu, Changjun verfasserin aut Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure 2017transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. High-performance computing Elsevier Molecular dynamics Elsevier Data structure Elsevier Irradiation environment Elsevier Bai, He oth He, Xinfu oth Zhang, Boyao oth Nie, Ningming oth Wang, Xianmeng oth Ren, Yingwen oth Enthalten in North Holland Publ. Co Remes-Troche, Jose Maria ELSEVIER Sa1070 Epidemiology of Gastroesophageal Reflux (GERD) Symptoms in Mexico. A Nationwide Population Based Study 2014 an international journal for computational physics and physical chemistry Amsterdam (DE-627)ELV012614815 volume:211 year:2017 pages:73-78 extent:6 https://doi.org/10.1016/j.cpc.2016.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA GBV_ILN_22 GBV_ILN_40 GBV_ILN_105 35.70 Biochemie: Allgemeines VZ 42.12 Biophysik VZ 42.15 Zellbiologie VZ AR 211 2017 73-78 6 045F 004 |
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10.1016/j.cpc.2016.07.011 doi GBV00000000000052A.pica (DE-627)ELV030771927 (ELSEVIER)S0010-4655(16)30193-X DE-627 ger DE-627 rakwb eng 004 530 004 DE-600 530 DE-600 610 VZ 570 VZ BIODIV DE-30 fid 35.70 bkl 42.12 bkl 42.15 bkl Hu, Changjun verfasserin aut Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure 2017transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. High-performance computing Elsevier Molecular dynamics Elsevier Data structure Elsevier Irradiation environment Elsevier Bai, He oth He, Xinfu oth Zhang, Boyao oth Nie, Ningming oth Wang, Xianmeng oth Ren, Yingwen oth Enthalten in North Holland Publ. Co Remes-Troche, Jose Maria ELSEVIER Sa1070 Epidemiology of Gastroesophageal Reflux (GERD) Symptoms in Mexico. A Nationwide Population Based Study 2014 an international journal for computational physics and physical chemistry Amsterdam (DE-627)ELV012614815 volume:211 year:2017 pages:73-78 extent:6 https://doi.org/10.1016/j.cpc.2016.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA GBV_ILN_22 GBV_ILN_40 GBV_ILN_105 35.70 Biochemie: Allgemeines VZ 42.12 Biophysik VZ 42.15 Zellbiologie VZ AR 211 2017 73-78 6 045F 004 |
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10.1016/j.cpc.2016.07.011 doi GBV00000000000052A.pica (DE-627)ELV030771927 (ELSEVIER)S0010-4655(16)30193-X DE-627 ger DE-627 rakwb eng 004 530 004 DE-600 530 DE-600 610 VZ 570 VZ BIODIV DE-30 fid 35.70 bkl 42.12 bkl 42.15 bkl Hu, Changjun verfasserin aut Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure 2017transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. High-performance computing Elsevier Molecular dynamics Elsevier Data structure Elsevier Irradiation environment Elsevier Bai, He oth He, Xinfu oth Zhang, Boyao oth Nie, Ningming oth Wang, Xianmeng oth Ren, Yingwen oth Enthalten in North Holland Publ. Co Remes-Troche, Jose Maria ELSEVIER Sa1070 Epidemiology of Gastroesophageal Reflux (GERD) Symptoms in Mexico. A Nationwide Population Based Study 2014 an international journal for computational physics and physical chemistry Amsterdam (DE-627)ELV012614815 volume:211 year:2017 pages:73-78 extent:6 https://doi.org/10.1016/j.cpc.2016.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U FID-BIODIV SSG-OLC-PHA GBV_ILN_22 GBV_ILN_40 GBV_ILN_105 35.70 Biochemie: Allgemeines VZ 42.12 Biophysik VZ 42.15 Zellbiologie VZ AR 211 2017 73-78 6 045F 004 |
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Enthalten in Sa1070 Epidemiology of Gastroesophageal Reflux (GERD) Symptoms in Mexico. A Nationwide Population Based Study Amsterdam volume:211 year:2017 pages:73-78 extent:6 |
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Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. |
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Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. |
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Material irradiation effect is one of the most important keys to use nuclear power. However, the lack of high-throughput irradiation facility and knowledge of evolution process, lead to little understanding of the addressed issues. With the help of high-performance computing, we could make a further understanding of micro-level-material. In this paper, a new data structure is proposed for the massively parallel simulation of the evolution of metal materials under irradiation environment. Based on the proposed data structure, we developed the new molecular dynamics software named Crystal MD. The simulation with Crystal MD achieved over 90% parallel efficiency in test cases, and it takes more than 25% less memory on multi-core clusters than LAMMPS and IMD, which are two popular molecular dynamics simulation software. Using Crystal MD, a two trillion particles simulation has been performed on Tianhe-2 cluster. |
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