AMBER Archive (2009)

Subject: Re: [AMBER] amber9 compilation

From: David Watson (dewatson_at_olemiss.edu)
Date: Fri Nov 06 2009 - 10:16:58 CST

On Nov 6, 2009, at 9:50 AM, Myunggi Yi wrote:

> Thank you for your help.
>
> Since I did backup the old config.h, I used the same configure
> options as
> before.
>
> ./configure -openmpi -bintraj ifort_x86_64
> or
> ./configure -openmpi -opteron -bintraj ifort_x86_64
>
>
> And I replaced gcc to mpicc, C++ to mpiCC, and ifort to mpif90 in the
> config.h
> It worked previously.
> The following is config.h
>

Well, since your are using the intel compilers, you need to be using
an mpi version that was created for your intel compilers.
It appears that the mpi programs that are being called were configured
to compile fortran code with gfortran.

Did you set/export MPI_HOME?
If so, then you shouldn't need to hand-code the config.h file.
Perhaps there is more than one mpif90 on your system?
You could try to 'locate mpif90' to see if this is the case.
You need to have MPI_HOME set correctly in order to use the right one.

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