AMBER Archive (2004)

Subject: Re: AMBER: problems with mpich

From: Chen Yongzhi (
Date: Fri May 28 2004 - 13:23:48 CDT

Dear David:

I used the following commands:

./configure -mpich ifort
LOADLIB= $(MPICH_HOME) (in config.h)

The machine is a RH9 Linux cluster whose processors are Intel 3.0GHz. And I
know the position of MPI/Intel compilers is


I am little confusing. The library should be a directory. Now I am not sure
which kind of directory is a library which the loader need. Thanks.


>From: "David A. Case" <>
>Subject: Re: AMBER: problems with mpich
>Date: Fri, 28 May 2004 09:52:56 -0700
>On Fri, May 28, 2004, Amber admin wrote:
> >
> > As you suggested, I assigned a proper value to the $LOADLIB variable in
> > my config.h. Then the error changes to :
> >
> > init.o constantph.o prn_dipoles.o \
> > ../lmod/lmod.a
> > /usr/local/mpich/1.2.5..12/gm-2.1.1nks2smp/smp/intel32/ssh/lib \
> > ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o ../lib/sys.a
> > /usr/local/mpich/1.2.5..12/gm-2.1.1nks2smp/smp/intel32/ssh/lib: file
> > recognized: Is a directory
> > make[1]: *** [sander] Error 1
> > make[1]: Leaving directory `/nfs/s1r1p2/xinchen/amber8/src/sander'
> > make: *** [parallel] Error 2
>Did you use the "-mpi" or the "-mpich" flag? It should be the latter
>for mpich, and none of this might be necessary.
>As the error message above states, you are providing a directory, not a
>library, in the LOADLIB variable. Study what configure does with the
>flag, and try to work from there.
>For the future, you should give some indication of what sort of machine
>operating system you are talking about.
>David A. Case | e-mail:
>Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
>The Scripps Research Institute | phone: +1-858-784-9768
>10550 N. Torrey Pines Rd. | home page:
>La Jolla CA 92037 USA |
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