AMBER Archive (2004)

Subject: RE: AMBER: amber 8 parallel problem

From: Ross Walker (
Date: Sun Oct 17 2004 - 00:28:51 CDT

> ../lmod/lmod.a -L/usr/local/mpich_gcc/lib
> -lmpichf90 -lmpich \
> ../lapack/lapack.a ../blas/blas.a
> ../lib/nxtsec.o ../lib/sys.a
> ld: cannot find -lmpichf90
> make[1]: *** [sander] Error 1
> make[1]: Leaving directory
> `/usr/local/amber8/src/sander'
> make: *** [parallel] Error 2

This means the mpichf90 library was not found. Does it exist on your system?
Try 'locate mpichf90'. If it exists then add -Lpath_to_mpichf90 to the
loader line of the config.h file.

Did you compile mpich with fortran 90 support? Possibly not. I suggest you
read the mpich manual and install it with intel ifort F77 and f90 support.
Make sure you use the same compiler version for mpich as you use for sander
or you will have problems...

It is also possible that you only have shared versions of the mpich
libraries but you requested static compilation. Unfortunately you have not
provided enough information (arguments you gave to configure, machine
architecture, compiler versions etc.) for me to help you much more... Try
compiling without the static flag.

All the best

|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- |
| | PGP Key available on request |

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