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Figure 59 Pseudocode for the nonbonded computation in a typical parallel molecular dynamics code This code is almost identical to the sequential version of the function shown in Fig 44 The only major change is a new array of integers holding the indices for the atoms assigned to this UE, local_atoms We've also assumed that the neighbor list has been generated to hold only those atoms assigned to this UE For the sake of allocating space for these arrays, we have added a parameter LN which is the largest number of atoms that can be assigned to a single UE function non_bonded_forces (N, LN, atoms, local_atoms, neighbors, Forces) Int N // number of atoms Int LN // maximum number of atoms assigned to a UE Array of Real :: atoms (3,N) //3D coordinates Array of Real :: forces (3,N) //force in each dimension Array of List :: neighbors(LN) //atoms in cutoff volume Array of Int :: local_atoms(LN) //atoms assigned to this UE real :: forceX, forceY, forceZ loop [i] over local_atoms loop [j] over neighbors(i) forceX = non_bond_force(atoms(1,i), forceY = non_bond_force(atoms(2,i), forceZ = non_bond_force(atoms(3,i), force{l,i) += forceX; force{1,j) -= force(2,i) += forceY; force{2,j) -= force{3,i) += forceZ; force{3,j) -= end loop [j] end loop [i] end function non_bonded_forces atoms(l,j)) atoms(2,j)) atoms(3,j)) forceX; forceY; forceZ; asp.net pdf writer How to Easily Create a PDF Document in ASP . NET Core Web API
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What is the best way to send data from a database to a pdf writer ? Example: database -> c# object -> xml + xslt -> pdf writer or database ->c# ... Only a few changes are made to the sequential functions First, a second force array called final_forces is defined to hold the globally consistent force array appropriate for the update of the atomic positions and velocities Second, a list of atoms assigned to the UE is created and passed to any function that will be parallelized Finally, the neighbor_list is modified to hold the list for only those atoms assigned to the UE Finally, within each of the functions to be parallelized (the forces calculations), the loop over atoms is replaced by a loop over the list of local atoms We show an example of these simple changes in Fig 59 This is almost identical to the sequential version of this function discussed in the Task Parallelism pattern As discussed earlier, the following are the key changes . Multi-threaded programming requires a different way of looking at software Rather than executing a series of steps sequentially, tasks are executed concurrently that is, many tasks are performed at the same time, rather than one task having to finish before another can start Multithreading, also known as multiple threads of execution, allows a program to have multiple instances of itself running, while using the same shared memory space and code (unlike multiprocess programming, which uses separate memory address spaces, making communication between processes difficult) An application can be performing many different tasks concurrently, and threads may access shared data variables to work collaboratively You've probably seen this type of behavior in software applications, although you might not have recognized it When programs with a graphical user interface are run, they typically use multithreading For example, a GUI application running on a Windows machine may be performing some processing task, such as updating cells in a spreadsheet or spooling a document to the printer Have you ever wondered why you can move a window around, resize it, or access the file menu, even though the application is performing some other task The graphical user interface (which often uses GUI components of the underlying operating system) is being continually updated, independent of the actual application, by one or more GUI threads that update screen display and catch GUI events such as mouse clicks and drags A new array has been added to hold indices for the atoms assigned to this UE This array is of length LN where LN is the maximum number of atoms that can be assigned to a single UE The loop over all atoms (loop over i) has been replaced by a loop over the elements of the local_atoms list We assume that the neighbor list has been modified to correspond to the atoms listed in the local_atoms list asp.net pdf writer PDF - Writer .NET - Generate PDF from WinFrom .NET, ASP . NET ...
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