pseudocode for a parallel molecular dynamics program using openmp

... this area The Markkula Center for Applied Ethics at Santa Clara University offers a program inviting faculty to apply for assistance with incorporating ethics into any undergraduate course in any ... Richard Hackman’s three normative criteria for measuring group and organizational performance.25 Administrators and business ethics program faculty can use the criteria to assess their progress and ... detrimental to a curriculum integration effort Taking an alternative perspective can better assist in the integration, especially if a faculty member takes a broader view of himself as a part of a larger...

Ngày tải lên: 06/03/2014, 19:20

... d% 2axy : À 2ay Thus the coordinate transformation transformation can be obtained, ð13Þ and inverse x x(t)=x' Fig Schematic diagram of bending by using coordinate transformation The coordinate ... Fig The a 421 and b 422 CN types for CNA Red atoms indicate any two atoms within a neighbor distance and form a pair Blue atoms (#3–#6) are the common neighbor atoms for red atom pair (#1 and #2) ... that the conductance at high strain-rate deformation may be no longer quantized Recent research has revealed that geometry, including surface orientation and the hollowness of nanomaterials, can...

Ngày tải lên: 22/06/2014, 00:20

... performing the decoding and rendering as fast as the all-key method In particular, the coding performance for the City and Santa image sets shows a clearer advantage of our method than that for ... are captured by moving a single camera on a control stage, which is an ideal condition for generating accurate side information Since they are captured on a regular 2D grid with a fixed camera ... [13] Therefore, if the cameras have a function that maps pixel values to coset indices and encodes them with an intraimage coder (e.g., the Axis 210 camera we used for the camera array has a built-in...

Ngày tải lên: 22/06/2014, 00:20

... of human alpha-lactalbumin by molecular dynamics simulation J Mol Biol 306, 329–347 Marchi M & Ballone P (1999) Adiabatic bias molecular dynamics: a method to navigate the conformational space ... ligand affinity, specificity, and folding stability of an engineered lipocalin variant – a so-called ‘anticalin’ – using a molecular random approach Biophys Chem 96, 213–228 52 Lazaridis T & Karplus ... Conformers in group have an ˚ ˚ RMSD less than A and an Rg less than 16.5 A Group conformers have an RMSD in the range ˚ ˚ 4–7 A and an Rg in the range 16.5–17.7 A, while ˚ and an group conformers...

Ngày tải lên: 16/03/2014, 23:20

... [9] T Amisaki, S Toyoda, H Miyagawa, K Kitamura, Development of hardware accelerator for molecular dynamics simulations: a computation board that calculates nonbonded interactions in cooperation ... force calculation – a significant calculation part of FMM on GRAPE Remaining parts of the paper are organized as follows In section we gives a summary of the FMM and related algorithms as well as ... section 3 A new formulation for fast calculation of far field force Eq (3) gives solution for outer expansion of P2 M2 Using a similar approach, we obtained solution for inner expansion as: p N...

Ngày tải lên: 22/03/2014, 11:20

... Computational and Graphical Statistics, also presented atlnterface-92 Gale, W., and Church, K (to appear) "A Program for Aligning Sentences in Bilingual Corpora," Computational Linguistics, also ... d a t a s e t a n d t h e i r o t h e r d a t a s e t as the " e a s y " dataset, so-named to reflect the fact that the former dataset was relatively more difficult than the latter for the class ... catastrophe naturelle laissant sans abri le tiers de la population? Deuxi~mement: le commissaire Sutherland pourrait-il faire une d6claration au sujet de la situation cr66e au Royaume-Uni par...

Ngày tải lên: 31/03/2014, 06:20

... draft training program was revised and finalised accordingly GAP Workshop in Binh Thuan (21-22/7/2008) Baseline survey Farmers’ opinion towards the cashew IPM program using weaver ants as a major ... plot, and the small black ant, Tapinoma melanocephalum that was abundant on the remaining trees of the plot The Crematogaster ants were nesting on cashew tree branches and the small black ant were ... participate in this weaver ant training in order to establish a weaver ant farm To assist with this endangered animal conservation program, we strongly supported their idea and accepted Mr Thai...

Ngày tải lên: 21/06/2014, 05:20

... South Vietnam Vietnamese Project Team Leader Mr La Pham Lan Australian Organisation Charles Darwin University Australian Personnel Dr Keith Christian and Dr Renkang Peng Date commenced February 2006 ... black ant, Tapinoma melanocephalum, that was abundant on the remaining trees of the plot Baiting of competitive ant species Ant baits (Amdro and Campaign ant bait) brought from Australia were tried ... that almost all the crematogaster ants were dead in their nests, including queen ants, and that the small black ant activity was greatly reduced Seven days later after this baiting, weaver ant...

Ngày tải lên: 21/06/2014, 06:20

... play a very important part in cashew production Table shows that 8% of cashew orchards are managed by women, 70% are jointly managed by men and women and 22% by men The women have had an average ... least 10 major insect pests and three diseases as well as many important species of natural enemies such as parasitoids and beneficial fungi in cashew orchards These data clearly show that farmers ... holders, having about of orchards with the average tree age being years (for grafted materials) and 12 years (for trees produced from seeds) (Table 3) Cashew nut yield was about 1400 kg/ha in 2005 and...

Ngày tải lên: 21/06/2014, 06:20

... Vietnam Vietnamese Project Team Leader Mr La Pham Lan Australian Organisation Charles Darwin University Australian Personnel Prof Keith Christian and Dr Renkang Peng Date commenced February 2006 ... make them aware of the existence and the role of natural enemies (especially weaver ants) on cashew trees, and (3) to provide them with information about the advantages and disadvantages of using ... theoretical and practical knowledge 2.6 *: = Very satisfactory; = Satisfactory; = Good; = unsatisfactory; = very unsatisfactory Course name: Natural enemies and their conservation Category* Average ranks...

Ngày tải lên: 21/06/2014, 06:20

... had weaver ants Apart from weaver ants, we also found ghost ants (Tapinoma melanocephalum), small sized crematogaster ants (Crematogaster sp) and an unidentified black ant in this orchard, but ... Vietnam Vietnamese Project Team Leader Mr La Pham Lan Australian Organisation Charles Darwin University Australian Personnel Prof Keith Christian and Dr Renkang Peng Date commenced February 2006 ... ghost ant baiting, weaver ant abundance was greatly reduced from 65% in early January to below 15% late January As a result, the main insect pest damage was much higher and the yield was much...

Ngày tải lên: 21/06/2014, 06:20

... Vietnam Vietnamese Project Team Leader Mr La Pham Lan Australian Organisation Charles Darwin University Australian Personnel Prof Keith Christian and Dr Renkang Peng Date commenced February 2006 ... their understanding of the cashew IPM program A lot of farmers said that it was the best training they had received about cashews Although weaver ants are abundant, the farmers never knew about their ... Telephone: Fax: Email: 61 89466706 61 89466847 keith.christian@cdu.edu.au In Australia: Administrative contact Jenny Carter Name: Research Manager Position: Organisation Charles Darwin University...

Ngày tải lên: 21/06/2014, 06:20

... developed A manual “Integrated cashew improvement program using weaver ants as a major component – Manual for ICI program trainers and extension officers in Vietnam” was completed A ICI photo book for ... “Integrated cashew improvement program using weaver ants as a major component - Manual for ICI program trainers and extension officers in Vietnam” Charles Darwin University, Australia and Institute ... integrated cashew improvement (ICI) program using weaver ants as a major component - Manual for ICI program trainers and extension officers in Vietnam” has been developed The manual includes • cashew...

Ngày tải lên: 21/06/2014, 06:20

... IPM program, for the part of the TOT training and for the field data analyses Dr Pham Van Bien and Mr La Pham Lan are in charge of Vietnamese personnel and expenses of the project Mr Lan is also ... South Vietnam Vietnamese Project Team Leader Professor Dr Pham Van Bien Australian Organisation Charles Darwin University Australian Personnel Dr Keith Christian and Dr Renkang Peng Date commenced ... farmers who participated in this training Therefore, the first session of training has already built up trainees confidence in using weaver ants as a major component of the cashew IPM program...

Ngày tải lên: 21/06/2014, 06:20

... library or set manually by the user, just like the case with OpenMP Beside basic loop parallelizing parallel _for constructs, TBB also have parallel patterns such as parallel_ reduce, parallel_ scan, ... CPU 1.1.3 Data parallel architectures Data parallel architectures appeared very soon on the history of computing They utilize data parallelism to increase execution bandwidth Data parallelism is ... than CUDA as it can support both task parallelism and data parallelism Data movements between the host and compute devices, as well as OpenCL tasks, are coordinated via command queues Command...

Ngày tải lên: 23/11/2012, 15:03

... J., Ryall R L and Marshall V R (1988) A discretized population balance for nucleation, growth, and aggregation AJChE Journal 34(11), 1821 –1832 Jackson G A (1998) Using fractal scaling and two-dimensional ... dimension A fractal aggregate with D

Ngày tải lên: 05/09/2013, 08:40

... Galo, I Albarreal, M.C Calzada, J.L Cruz, E Fernandez-Cara, M Mari´n, Stability and Convergence of a Parallel ´ Fractional Step Method for the Solution of Linear Parabolic Problems, Applied Mathematics ... Marszalek, Z Trzaska, A Boundary-value Problem for Linear PDAEs, Int.J.Appl.Math.Comput.Sci., Vol 12, No (2002) 487 [3] T Lu, P Neittaanmaki, X.C Tai, A Parallel Splitting-up Method for Partial ... Adams, New Parallel Method by Domain Partitioning, SIAM J Sci Comput Vol 20, No (1999) 2261 [9] C.Zhang, Hong Lan, Y.E.Yang, B.D Estrade, Parallel SOR Iterative Algorithms and Performance Evaluation...

Ngày tải lên: 13/02/2014, 03:20

... voltage sensor domain revealed by selfassembly simulations Proc Natl Acad Sci USA 104, 2631–2636 20 Khalid S & Sansom MSP (2006) Molecular dynamics simulations of a bacterial autotransporter: NalP ... study by Mason et al [7] indicated that Ab40 was capable of penetrating into rat synaptic plasma membranes, thus decreasing bilayer thickness In addition, Kayed et al [11] report that, although ... it by the interactions described above, whereas more distant lipids maintain a more canonical value for their lateral 3068 area This trend is apparent in all other simulations of Ab (see Figs S10–S15),...

Ngày tải lên: 18/02/2014, 08:20

... Structural dynamics and serine protease catalysis Table Kinetic and thermodynamic parameters derived from amide H D exchange rates for a- CT and for the various lactose -a- CT and dextran -a- CT conjugates ... used for the p-nitroanilide (pNA) substrate Glycoconjugate modelling and molecular dynamics simulations For all molecular modelling and molecular dynamics (MD) simulation experiments the yasara ... Authors Journal compilation ê 2006 FEBS R J Sola and K Griebenow Structural dynamics and serine protease catalysis Table Kinetic parameters for the a- CT-, lactose -a- CT-, and dextran -a- CT catalyzed...

Ngày tải lên: 19/02/2014, 05:20

... interface and employs a fully parallelizable design, enabling applications to saturate available network and compute hardware Panache can also mask fluctuating WAN latencies and outages by acting as ... metadata operations on the gateway nodes Finally, we run a parallel visualization application and a Hadoop application to analyze Panache with an HPC access pattern 7.1 Experimental Setup All ... mask the WAN latencies by ensuring applications see the cache cluster’s performance on all data writes and metadata updates Towards that end, all data writes and metadata updates are done asynchronously—the...

Ngày tải lên: 19/02/2014, 18:20