AMBER Archive (2004)

Subject: Re: AMBER: parallel installation problem

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Mon May 24 2004 - 09:38:50 CDT

Dear Oliver,

I cannot reproduce your problem. I compiled mpich-1.2.5.2 on Fedora Core
1 with Intel compilers (version 8.0 build 20031016Z) without problems.
Here is a snippet of mpich ./configure output:
...
checking that Fortran programs can link with needed C functions... yes
checking that C++ programs can link with needed C functions... yes
...
checking whether the Fortran 77 compiler (ifort ) works... yes
checking whether the Fortran 77 compiler (ifort ) is a cross-compiler... no
checking whether we are using GNU Fortran 77... no
checking for f95... no
checking for f90... no
checking for xlf90... no
checking for pgf90... no
checking for efc... no
configure: warning: no acceptable Fortran 90 compiler found in $PATH
(this last warning is probably just saying that no fortran compiler with
names f95, f90, xlf90, etc was found - because Intel compiler is called
ifort)
...

Parallel sander compiled ok too (all sander tests passed).
Are you sure you set your environmental variables for Intel compilers
and mpich and amber correclty (I know you said you did but still...)?
Have a look at:
http://amber.scripps.edu/cluster_info/index.html#compile_a8
for step by step compilation description (carry out steps 1, 2, 3, and 3b).
In particular do "export CC=icc" and "export FC=ifort" before you run
./configure ... for mpich (step 2).

Cheers,
-Viktor

Oliver Hucke wrote:

> Dear Amber users/developers,
>
> a few days ago I posted a message about my problems with the
> installation of parallel amber8 on a linux cluster (Fedora 1.0). I am
> still struggling.
> I am using the most recent versions of the intel compilers icc and
> ifort. I successfully compiled amber8 serial with ifort.
>
> My problem is that the installation of the fortran part of mpich does
> not work:
> Execution of the configure script for mpich (1.2.5.2) leads to the
> messages:
>
> ...
> checking that Fortran programs can link with needed C functions... no
> Warning: Fortran programs cannot be linked with the C libraries
> Fortran support being turned off
> ...
>
> The environment variables for the c- and fortran compilers are set and
> recognized by the configure script.
>
> What might cause the problem with the linking of fortran programs with
> the C libraries during mpich installation?
>
> Any input is very much appreciated!
>
> Thanks,
> Oliver
>

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