AMBER Archive (2004)

Subject: Re: AMBER: problems with mpich

From: David A. Case (
Date: Fri May 28 2004 - 11:52:56 CDT

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 | ================================================================== ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to To unsubscribe, send "unsubscribe amber" to