Abstract: Embodiments of the inventive subject matter include receiving, in a distributed computing environment, a plurality of files for execution. Embodiments further include identifying, by parsing the plurality of files, code segments contained in each of the plurality of files. Embodiments further include determining, based on a comparison of the code segments and definitions contained in a distributed computing basic function library, a first group of the code segments that include configuration tasks and a second group of the code segments that include computational tasks. Embodiments further include combining the first group of the code segments to form a super configuration task. Embodiments further include creating an executable code, wherein the executable code comprises the super configuration task and the second group of code segments. Embodiments further include allocating the executable code to one or more nodes. Embodiments further include executing the executable code on the one or more nodes.

Abstract: Embodiments of the inventive subject matter include receiving, in a distributed computing environment, a plurality of files for execution. Embodiments further include identifying, by parsing the plurality of files, code segments contained in each of the plurality of files. Embodiments further include determining, based on a comparison of the code segments and definitions contained in a distributed computing basic function library, a first group of the code segments that include configuration tasks and a second group of the code segments that include computational tasks. Embodiments further include combining the first group of the code segments to form a super configuration task. Embodiments further include creating an executable code, wherein the executable code comprises the super configuration task and the second group of code segments. Embodiments further include allocating the executable code to one or more nodes. Embodiments further include executing the executable code on the one or more nodes.

Abstract: Embodiments of the inventive subject matter include receiving, in a distributed computing environment, a plurality of files for execution. Embodiments further include identifying, by parsing the plurality of files, code segments contained in each of the plurality of files. Embodiments further include determining, based on a comparison of the code segments and definitions contained in a distributed computing basic function library, a first group of the code segments that include configuration tasks and a second group of the code segments that include computational tasks. Embodiments further include combining the first group of the code segments to form a super configuration task. Embodiments further include creating an executable code, wherein the executable code comprises the super configuration task and the second group of code segments. Embodiments further include allocating the executable code to one or more nodes. Embodiments further include executing the executable code on the one or more nodes.

Abstract: Embodiments of the inventive subject matter include receiving, in a distributed computing environment, a plurality of files for execution. Embodiments further include identifying, by parsing the plurality of files, code segments contained in each of the plurality of files. Embodiments further include determining, based on a comparison of the code segments and definitions contained in a distributed computing basic function library, a first group of the code segments that include configuration tasks and a second group of the code segments that include computational tasks. Embodiments further include combining the first group of the code segments to form a super configuration task. Embodiments further include creating an executable code, wherein the executable code comprises the super configuration task and the second group of code segments. Embodiments further include allocating the executable code to one or more nodes. Embodiments further include executing the executable code on the one or more nodes.

Abstract: Embodiments of the inventive subject matter include receiving, in a distributed computing environment, a plurality of files for execution. Embodiments further include identifying, by parsing the plurality of files, code segments contained in each of the plurality of files. Embodiments further include determining, based on a comparison of the code segments and definitions contained in a distributed computing basic function library, a first group of the code segments that include configuration tasks and a second group of the code segments that include computational tasks. Embodiments further include combining the first group of the code segments to form a super configuration task. Embodiments further include creating an executable code, wherein the executable code comprises the super configuration task and the second group of code segments. Embodiments further include allocating the executable code to one or more nodes. Embodiments further include executing the executable code on the one or more nodes.

Abstract: Embodiments of the inventive subject matter include receiving, in a distributed computing environment, a plurality of files for execution. Embodiments further include identifying, by parsing the plurality of files, code segments contained in each of the plurality of files. Embodiments further include determining, based on a comparison of the code segments and definitions contained in a distributed computing basic function library, a first group of the code segments that include configuration tasks and a second group of the code segments that include computational tasks. Embodiments further include combining the first group of the code segments to form a super configuration task. Embodiments further include creating an executable code, wherein the executable code comprises the super configuration task and the second group of code segments. Embodiments further include allocating the executable code to one or more nodes. Embodiments further include executing the executable code on the one or more nodes.

Abstract: Specified data is distributed in a High-Performance Computing cluster comprising a Management node and M computation nodes where M is an integer greater than one, by the method comprising: dividing the M computation nodes into m layers where m is an integer greater than one; dividing the specified data into k shares where k is an integer greater than one; distributing, by the Management node, the k shares of data to a first layer of computation nodes as sub-nodes thereof, each node of the first layer obtaining at least one share of data therein; distributing, by each of the computation nodes, the share(s) of data distributed by a parent node thereof to sub-nodes thereof; and requesting, by each of the computation nodes, the remaining specified data to other computation nodes, to thereby obtain all the specified data.

Abstract: The present invention discloses a method and system for data distribution in a High-Performance Computing cluster, the High-Performance Computing cluster comprising a Management node and M computation nodes where M is an integer greater than or equal to 2, the Management node distributing the specified data to the M computation nodes, the method comprising steps of: dividing the M computation nodes into m layers where m is an integer greater than or equal to 2; dividing the specified data into k shares where k is an integer greater than or equal to 2; distributing, by the Management node, the k shares of data to a first layer of computation nodes as sub-nodes thereof, each of the first layer of computation nodes obtaining at least one share of data therein; distributing, by each of the computation nodes, the at least one share of data distributed by a parent node thereof to sub-computation nodes thereof; and requesting, by each of the computation nodes, the remaining specified data to other computation nodes,

Abstract: The present invention provides techniques for performing molecular dynamics simulation on a multiprocessor system. The method comprises: dividing a substance space on which molecular dynamics simulation are to be performed into a plurality of cells; storing data of molecules of the plurality of cells in the main memory of the multiprocessor system such that data of molecules of each cell are continuously stored in a memory area corresponding to the cell; and the plurality of accelerators repeatedly acquiring the data of molecules of the plurality of cells from the main memory and performing molecular dynamics simulation computations in parallel such that data of molecules of at least one cell are acquired in one DMA operation. By continuously storing data of molecules of each cell in a memory area corresponding to the cell, the present invention reduces the data exchanges between each accelerator and the main memory during simulation.