Re: AMBER: problems with mpich

From: David A. Case <>
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 not
> 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 -mpich
flag, and try to work from there.

For the future, you should give some indication of what sort of machine and
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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Received on Fri May 28 2004 - 18:53:00 PDT
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