AMBER Archive (2006)

Subject: Re: AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster

From: Carlos Silva Lopez (csilval_at_uvigo.es)
Date: Tue Feb 28 2006 - 16:27:07 CST

Not surprisingly you are absolutely right, I will try that.

Thanks a lot

Wei Zhang wrote:

>Hi,
>
>It seems to me you are using intel fortran compiler, Am I right?
>
>This error usually happens when you are using different compiler to
>compile amber and compile mpich. mpich use g77 as its default compiler,
>which generate object files don't work with intel fortran compiler.
>
>Re-compile mpich using the same compiler may solve this problem, you
>can do this by the following steps:
>
>download mpich source code, unzip it
>
>go to mpich directory, try the following command:
>
>export FC=ifort(or the compiler you are using for amber)
>export F90=ifort(or the compiler you are using for amber)
>(I assume you are using bash, if you are using csh, try:
>setenv FC ifort
>setenv F90 ifort)
>./configure
>make
>
>watch the build process, make sure you are using right compiler.
>
>Wish you good luck
>
>Sincerely,
>
>Wei
>
>
>

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