AMBER Archive (2005)
Subject: RE: AMBER: Amber 8 : installation problems : undefined reference to `mpi_allreduce_'
From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue May 24 2005 - 10:43:37 CDT
> ../lmod/lmod.a -lpbs -lnsl -L/opt/lammpi-7.1.1/lib -llammpio
> -llamf77mpi -lmpi -llam -laio -laio -lutil -ldl \
> ../lapack/lapack.a ../blas/blas.a ../lib/nxtsec.o
> egb.o: In function `genborn_mp_egb_':
> egb.o(.text+0x210b): undefined reference to `mpi_allreduce_'
> egb.o(.text+0x30ff): undefined reference to `mpi_allreduce_'
> sander.o: In function `MAIN__':
> (many more of this)
> Target is a cluster of amd-dual-processor-workstations with
> RedHat 7.3 .
> Fortran compiler : ifc and ifort (intel fortran compiler 8.0)
> C(++) Compiler : gcc 3.4.3
> Configuration : ./configure -lam -athlon ifort
A couple of things to try.
1) Make sure you are building mpich or lam with the exact same compilers as
you are building amber with. Note, for lam and ifort I would use the
following options when running configure. Make sure you do a make clean of
the lam directory before starting. Also make sure you have uninstalled the
default lam that ships with Linux as this is built with gcc and won't work
with the intel compilers. This is for Intel v8.1, for Intel 8.0 you may need
to change export CXX=icpc to CXX=icc:
export LDFLAGS -all-static
export FFLAGS -static
export CFLAGS -static
export CXXFLAGS -static
export CXXLDFLAGS -static
./configure --without-romio --prefix=/usr/local/lam/
Make sure you can build the examples before moving onto building amber.
2) In the amber src directory make sure you run configure with the correct
./configure -athlon -static -lam ifort
Let me know how you get on wih this. Note, do NOT skip any make clean
All the best
| Department of Molecular Biology TPC15 |
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