| 1. Identity statement | |
| Reference Type | Conference Paper (Conference Proceedings) |
| Site | mtc-m16c.sid.inpe.br |
| Holder Code | isadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S |
| Repository | lac.inpe.br/worcap/2004/10.05.22.51 |
| Last Update | 2004:10.06.01.51.00 (UTC) administrator |
| Metadata Repository | lac.inpe.br/worcap/2004/10.05.22.51.00 |
| Metadata Last Update | 2018:06.04.04.12.27 (UTC) administrator |
| Citation Key | RodriguesPretStep:2004:PyApPa |
| Title | A PyMPI-based Approach for Parallel Interactive MD Simulations  |
| Format | CD-ROM, On-line. |
| Year | 2004 |
| Access Date | 2024, May 19 |
| Secondary Type | PRE CN |
| Number of Files | 1 |
| Size | 91 KiB |
| 2. Context | |
| Author | 1 Rodrigues, Eduardo Rocha 2 Preto, Airam Jonatas 3 Stephany, Stephan |
| Resume Identifier | 1 2 8JMKD3MGP5W/3C9JGGE 3 8JMKD3MGP5W/3C9JJ9D |
| Group | 1 LAC-INPE-MCT-BR |
| Affiliation | 1 Aluno do curso de pós-graduação do INPE em Computação Aplicada (CAP) |
| Editor | Banon, Gerald Jean Francis Becceneri, José Carlos Macau, Elbert Einstein Nehrer Rosa, Reinaldo Roberto Silva, José Demisio Simões da |
| e-Mail Address | erocha@lac.inpe.br |
| Conference Name | Workshop dos Cursos de Computação Aplicada do INPE, 4 (WORCAP). |
| Conference Location | São José dos Campos |
| Date | 20 e 21 out. 2004 |
| Publisher | Instituto Nacional de Pesquisas Espaciais |
| Publisher City | São José dos Campos |
| Book Title | Anais |
| Tertiary Type | Artigos Completos |
| Organization | Instituto Nacional de Pesquisas Espaciais |
| History (UTC) | 2004-10-06 01:51:01 :: erocha -> worcap :: 2004-12-29 11:34:40 :: worcap -> erocha :: 2009-05-31 01:51:47 :: erocha -> administrator :: 2009-05-31 03:15:58 :: administrator -> erocha :: 2011-02-16 13:43:09 :: erocha -> hideki.carvalho@lac.inpe.br :: 2011-11-01 15:07:44 :: hideki.carvalho@lac.inpe.br -> worcap2011.comissaoprograma@gmail.com :: 2004 2011-12-15 14:31:45 :: worcap2011.comissaoprograma@gmail.com -> administrator :: 2004 2018-06-04 04:12:27 :: administrator -> banon :: 2004 |
| 3. Content and structure | |
| Is the master or a copy? | is the master |
| Content Stage | completed |
| Transferable | 1 |
| Keywords | High Performance Cluster Computing Molecular Dynamics Python MPI Interactive Simulations |
| Abstract | A PyMPI-based approach for parallel interactive molecular dynamics (MD) simulations is proposed, derived for the ADKS sequential MD software. The ADKS software allows the simulation and interactive visualization of complex phenomena as fractures and grain boundary behaviour in solids. The simulation engine was parallelized using the MPI (Message assing Interface) communication library. A finite automata model represents the interaction between the user interface and the simulation engine. The PyMPI extends the Python language for the MPI environment and it is used to integrate the user interface and the parallel simulation engine. Performance results are shown without/with visualization for execution in a distributed memory parallel machine. |
| Area | COMP |
| Type | Computação Científica e Processamento de Alto Desempenho |
| Arrangement | urlib.net > BDMCI > Fonds > Produção anterior à 2021 > LABAC > A PyMPI-based Approach... |
| doc Directory Content | access |
| source Directory Content | there are no files |
| agreement Directory Content | there are no files |
| 4. Conditions of access and use | |
| data URL | http://urlib.net/ibi/lac.inpe.br/worcap/2004/10.05.22.51 |
| zipped data URL | http://urlib.net/zip/lac.inpe.br/worcap/2004/10.05.22.51 |
| Language | English |
| Target File | worcap2004ER.pdf |
| User Group | administrator erocha |
| Visibility | shown |
| 5. Allied materials | |
| Next Higher Units | 8JMKD3MGPCW/3ESGTTP |
| Citing Item List | sid.inpe.br/mtc-m21/2012/07.13.14.39.30 4 sid.inpe.br/mtc-m18/2011/03.14.11.56 2 |
| Host Collection | dpi.inpe.br/hermes2@1905/2005/09.28.12.36 sid.inpe.br/mtc-m18@80/2008/03.17.15.17 |
| 6. Notes | |
| Empty Fields | archivingpolicy archivist callnumber contenttype copyholder copyright creatorhistory descriptionlevel dissemination documentstage doi edition electronicmailaddress identifier isbn issn label lineage mark mirrorrepository nextedition notes numberofvolumes orcid pages parameterlist parentrepositories previousedition previouslowerunit progress project readergroup readpermission rightsholder schedulinginformation secondarydate secondarykey secondarymark serieseditor session shorttitle sponsor subject tertiarymark url versiontype volume |
| 7. Description control | |
| e-Mail (login) | banon |
| update | |