RE: AMBER: amber9 compile problem

From: Ross Walker <>
Date: Sun, 10 Jun 2007 10:15:18 -0700

Hi Henk,

> -> i then edit config.h and change all ifort occurences to mpif90.i

I suspect this is part of the problem. Did you try it without changing the compiler command? With ifort it should be linking the correct libraries. Note does mpif90.i actually call the intel compiler?
> ld: skipping incompatible
> /usr/local/topspin/mpi//mpich/lib64/ when
> searching for
> -lmpichf90_i
> ld: skipping incompatible
> /usr/local/topspin/mpi//mpich/lib64/libmpichf90_i.a when searching for
> -lmpichf90_i

You see this message because the compiler is trying to link a 64 bit library with a 32 bit object file. So what is happening here is that you are on an x86_64 machine with the correct 64 bit mpi libraries but mpif90.i is setup incorrectly so it is acting as a wrapper for the 32 bit version of the compiler.

Note you appear to be using the 32 bit version of the intel compilers:

>. /share/apps/intel/cc/9.1.047/bin/
>. /share/apps/intel/fc/9.1.043/bin/

note the fc and cc. I would go and download and install the 64 bit versions (x86_64, NOT the IA64 version) which will be in fce and cce directories and then make sure you source these config files. If mpif90.i just calls ifort then you will be fine since "which ifort" should return the fce version. However, if it uses the full path then you will have modify things so it calls the correct version.

Make sure you do a make clean before recompiling.

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
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Received on Wed Jun 13 2007 - 06:07:09 PDT
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