View source for Parallelization of a materials science code

{{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 ==
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