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MPI

If this flag is set, the parallel version is generated. It is necessary to recompile all files (touch *.F). The parallelisation requires that MPI is installed on the machine and the path of the libraries must be specified in the makefile.

There is one minor ``technical'' problem: MPI requires an include file mpif.h, which is sometimes y not F90 free format conform-able (CRAY is one exception). Therefore the include file mpif.h must be copied to the directory VASP.4 and converted to f90 style and named mpif.h. This can be done using the following lines:

 > cp ...mpi.../include/mpif.h mpif.h
 > ./convert mpif.h
The convert utility converts a F77 fortran file to a F90 free format file and is supplied in the VASP.4 directory. (On most Cray T3E this is for instance not required, and mpif.h can be found in one of the default include paths).



N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at