AMBER Archive (2009)

Subject: Re: [AMBER] compiling amber10 with mac intel, ifort/icc and mpi

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Wed Jun 10 2009 - 11:54:38 CDT

On Wed, Jun 10, 2009, Alan wrote:

> ./configure_amber -nosanderidc -mpi -p4 gfortran

> Undefined symbols:
>
> "_mpi_reduce_", referenced from:

Your build is not finding the MPI libraries. I have no idea where they are on
your computer. When you use the "-mpi" flag, the configure script assumes
that the required MPI libraries will be found. If not, you have to edit
config_amber.h to add the correct paths to the LOADLIB variable.

As a start, run configure_amber with the -lamsource option instead of -mpi.
This should(!) compile with gfortran (does on other platforms) and will
automatically put all the correct paths into the build scripts. (Be sure to
run configure_lam as the script instructs you to do; also, I'd still suggest
leaving off the "-j 2" flag to make..parallel makes have not been tested much.

...hope this helps....dac

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