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Abstract: this document. The main point is that BALJNB3 has the same O(P) work as BALJNB, but it is less precise, although tolerably so. For greater precision in partitioning the nonbonded force calculation with NTN=2 (remember NTN=1 is almost exact), the user can use the subroutine BALJNB4. BALJNB4 performs a global communication of JNB permitting a better attempt at load balancing of this charge-group based storage scheme. BALJNB4 requires that storage be provided for the entire JNB at each processor,... (Update)
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BibTeX entry: (Update)
@misc{ of-parallel,
author = "University Of",
title = "Parallel GROMOS Users Guide",
url = "citeseer.ist.psu.edu/157196.html" }
Citations (may not include all citations):43 Load balancing on message passing architectures (context) - Hanxleden, Scott - 1991
33 GROMOS: GROningen MOlecular Simulation software (context) - van Gunsteren, Berendsen - 1988
23 Parallel molecular dynamics (context) - Clark, McCammon et al. - 1991
23 Parallel molecular dynamics (context) - Clark, McCammon et al. - 1991
11 Parallelization of a molecular dynamics non-bonded force alg.. (context) - Clark, McCammon - 1990
8 a parallel extension of Fortran) reference manual (context) - Bagheri, Clark et al. - 1991
2 On searching neighbors in computer simulations of macromolec.. (context) - van Gunsteren, Berendsen et al. - 1984
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