VSE knjižnice (vzajemna bibliografsko-kataložna baza podatkov COBIB.SI)
  • Parallel programming library for molecular dynamics simulations
    Trobec, Roman ...
    A parallel computing library for moleculatr dynamics (MD) simulations is described and applied to the recently proposed split integration symplectic method (SISM) for DM simulations. The results show ... that for a system of 1024 linear chain molecules with an integration step of 4.5 fs parallel execution of SISM with the particle-particle interactions (PPIs) library on 32 computersgives efficiency of 95.6%. The results also shoe the parallel simulation of n particles is scalable with the number of processors p and the time requirement is proportional to n[sup]2/p for n/p large enough, which guarantees optimal speed-up
    Vir: International journal of quantum chemistry. - ISSN 0020-7608 (Vol. 96, no. 6, 2004, str. 530-536)
    Vrsta gradiva - članek, sestavni del
    Leto - 2004
    Jezik - angleški
    COBISS.SI-ID - 2874650