Tackling exascale software challenges in molecular dynamics simulations with GROMACS

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 8759, Issue , 2015, Pages 3-27

  Páll, Szilárd ^a   Abraham, Mark James ^a   Kutzner, Carsten ^b   Hess, Berk ^a   Lindahl, Erik ^a,c  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^c STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

APPLICATION PROGRAMMING INTERFACES (API); INTEGRATION TESTING; MOLECULAR DYNAMICS; SOFTWARE TESTING; SUPERCOMPUTERS;

ABSOLUTE PERFORMANCE; BIOMOLECULAR SIMULATION; CONTINUOUS INTEGRATION TESTING; EXASCALE SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; MULTI-LEVEL PARALLELISM; SOFTWARE CHALLENGES;

APPLICATION PROGRAMS;

EID: 84928911118     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-319-15976-8_1     Document Type: Conference Paper

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