AMBER Archive (2007)

Subject: Re: AMBER: amber9 installation problem

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Tue Oct 16 2007 - 12:15:04 CDT

Hi,

On Tue, 16 Oct 2007, Madjid Taghdir wrote:

> I am trying to install amber9 in xeon dual processor 64_machine using lam program. Serial version of amber9 compiled. When I am
> trying to compile the parallel version i am getting the following error.
>
> qm_div.o force.o \
> ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
> ../lib/nxtsec.o ../lib/sys.a -L/programs/lam/lib -L/programs/lam/lib -llammpio -llamf77mpi -lmpi -llam -laio -laio -lutil -ldl -lpthread -L/opt/intel/mkl/8.0.1/lib/em64t -lvml -lmkl_lapack -lmkl -lguide -lpthread
> evb_init.o(.text+0x650): In function `evb_init_':
> _evb_init.f: undefined reference to `mpi_bcast_'
> evb_init.o(.text+0x6a5):_evb_init.f: undefined reference to `mpi_bcast_'
> qmmm_module.o(.text+0x239d):_qmmm_module.f: undefined reference to `mpi_send_'
> qmmm_module.o(.text+0x262f):_qmmm_module.f: undefined reference to `mpi_recv_'
> force.o(.text+0x1d40):_force.f: undefined reference to `mpi_allgather_'
> make[1]: *** [sander.MPI] Error 1

There are many possible sources of this error as searching the
Amber archives will uncover.
A likely suspect is a lam that was built with gnu instead
of what you are apparently using to build sander.MPI, intel.
See these
http://amber.ch.ic.ac.uk/archive/200606/0311.html
http://amber.ch.ic.ac.uk/archive/200706/0207.html

Scott

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu