A parallel implementation: Real space Green's function technique

Onat, Berk; Durukanoglu, Sondan; Dag, Hasan

doi:10.1177/1094342006074862

A parallel implementation: Real space Green's function technique

Atıf İçin Kopyala

Onat B., Durukanoglu S., Dag H.

INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS, cilt.21, sa.1, ss.66-74, 2007 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 21 Sayı: 1
Basım Tarihi: 2007
Doi Numarası: 10.1177/1094342006074862
Dergi Adı: INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.66-74
İstanbul Teknik Üniversitesi Adresli: Evet

Özet

We develop an MPI-based parallel algorithm to implement the real space Green's function technique for calculating the vibrational density of states corresponding to a solid. The Hamiltonian describing the interactions between the atoms within the system is obtained from the embedded atom method. The parallel implementation speeds up calculation by an order of magnitude. The parallel implementation details and results are presented in this paper.