[DFTB-Plus-User] Fwd: errors compiling dftb+.mpi

[Bálint Aradi]

Dear Alex,

> I notice the presence of a file named "penmp" in the
> /usr/local/dftb+/dftb+.mpi-r4473/extlib/scalapackfx/src
> directory after the occurrence of this error. If I remove the "-openmp"
> option from the FXXOP list, this error
> goes away. So, I guess this must have something to do with "make" not
> passing options correctly around... 

The openmp directive is simply wrong. First of all, this is now called
-fopenmp for gfortran. And second, it should not be present at all in
the parallel code. Thanks for spotting it!

> second (and more serious) error:
> =======================
> 
> 
> nd(msg, size(msg) * len(msg), MPI_CHARACTER, dest, tag0, mycomm%id, error0)
>                                                                            1
> Error: There is no specific subroutine for the generic 'mpi_send' at (1)

This is unfortunately a compiler bug / missing F2003 feautre. GFortran
4.9.1 should be to compile mpifx, everything prior that does not work.
Make sure, your mpif90 wraps a recent gfortran compiler.

  Cheers,

   Bálint


Ps. I've added you now manually to the mailing list, not sure, why your
subscription did not work.

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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