Parallelization of a materials science code

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{{project info |description=Parallelization request for a materials science code <!--|research project=--> |fields=Computational science; Computational materials science |financing=SNIC |active=yes |start date=2013-05-01 |end date= }} This project is the result of a request from a research grroup in LiU. The code is embarrassingly parallel in nature. The parallelizing task is to send receive an array of user defined complicated data type. Requestors and collaborators: * Olle Hellman @ IFM, LiU Description We have implemented an easy interface for MPI send / receive for derived data. The send/recv routines "know" the data structure. These routines internally pack / unpack the structure data on a character buffer. We have taken a data structure which is similar to what was described by the user. We have implemented it in a template format. For the actual data structure the user needs to modify the relevant places in pack and unpack routines. The data structure dependent parts are placed in a separate module. In the main code the user needs to call MPI_Send_point / MPI_Recv_point to send / recv derived data types. The routine can be used as a stand alone library to be linked at run time. The interface can be made more user friendly by "overloading" the MPI_Send_point / MPI_Recv_point routines as MPI_Send / MPI_recv respectively. [https://snicdocs.nsc.liu.se/w/images/e/ef/Mpi_derived.tgz The code] == Members == {{#ask: [[Category:Person]] [[project::{{PAGENAME}}]] |?centre |?role |?field }}

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