Dear Scott,
Hi,
Thank you for your guidance. I compiled the parallel version of AMBER9 with uninstalling of lam that was built with gnu in linux.
Thanks,
Majid
----- Original Message ----
From: Scott Brozell <sbrozell.scripps.edu>
To: amber.scripps.edu
Sent: Tuesday, October 16, 2007 8:45:04 PM
Subject: Re: AMBER: amber9 installation problem
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
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Received on Wed Nov 14 2007 - 06:07:33 PST
