MPI parallelization of the first-principles pseudopotential method program with respect to each band

Modelling and Simulation in Materials Science and Engineering

Volumn 12, Issue 5, 2004, Pages 945-957

  Tamura, Tomoyuki ^a   Lu, Guang Hong ^a   Yamamoto, Ryoichi ^a   Kohyama, Masanori ^b   Tanaka, Shingo ^b   Tateizumi, Yuji ^c  

^a INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c TOKYO NATIONAL COLLEGE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; DATA TRANSFER; GROUND STATE; HAMILTONIANS; OPTIMIZATION; PERSONAL COMPUTERS; PROBLEM SOLVING; SUPERCOMPUTERS;

LARGE SYSTEMS; MESSAGE PASSING INTERFACE (MPI); PARALLELIZATIONS; PSEUDOPOTENTIALS;

MOLECULAR DYNAMICS;

EID: 4544367297     PISSN: 09650393     EISSN: None     Source Type: Journal    
DOI: 10.1088/0965-0393/12/5/012     Document Type: Article

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