AMBER Archive (2005)

Subject: AMBER: Amber 8 : installation problems : undefined reference to `mpi_allreduce_'

From: René Ranzinger (r.ranzinger_at_dkfz-heidelberg.de)
Date: Tue May 24 2005 - 10:04:42 CDT

Hello,

i have some problems to install amber 8 parallel version. The
singlethreaded version i compiled without problems.

By compiling parallel version i get following error :

ifort -FR -o sander trace.o lmod.o decomp.o icosasurf.o egb.o
findmask.o pb_force.o sander.o cshf.o noecalc.o noeread.o caldis.o
calrate.o dinten.o drates.o indexn.o kmat.o pearsn.o plane.o remarc.o
nmrcal.o nmrred.o restal.o getnat.o nmrnrg.o modwt.o disnrg.o angnrg.o
tornrg.o nmrprt.o nmrgrp.o nmrcms.o nmrcmf.o impnum.o nmrsht.o at2res.o
chklin.o opnmrg.o printe.o runmin.o ndvprt.o force.o rdparm.o mdread.o
locmem.o runmd.o getcor.o r6ave.o r6drv.o aveint.o degcnt.o corf.o
threeb.o tripl.o nmrrad.o decnvh.o fastwt.o echoin.o parallel.o jnrg.o
shake.o ene.o mdwrit.o minrit.o set.o setmm.o dynlib.o mdfil.o nmlsrc.o
ew_force.o ew_setup.o ew_box.o ew_bspline.o ew_fft.o ew_direct.o
ew_recip.o pcshift.o align.o rstack.o istack.o rfree.o rgroup.o random.o
lsqfit.o amopen.o debug.o ew_recip_reg.o ew_handle_dips.o
ew_dipole_recip.o mexit.o new_time.o extra_pts.o thermo_int.o matinv.o
assert.o mmtsb.o mmtsb_client.o erfcfun.o veclib.o mdm.o pb_init.o
constantph.o prn_dipoles.o \
         ../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 ../lib/sys.a
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__':
sander.o(.text+0x2d): undefined reference to `mpi_init_'
sander.o(.text+0x56): undefined reference to `mpi_comm_rank_'
sander.o(.text+0x77): undefined reference to `mpi_comm_size_'
sander.o(.text+0x90): undefined reference to `mpi_barrier_'
sander.o(.text+0x104): undefined reference to `mpi_bcast_'
...
sander.o(.text+0x4b2): undefined reference to `mpi_barrier_'
sander.o(.text+0x518): undefined reference to `mpi_comm_split_'
sander.o(.text+0x664): undefined reference to `mpi_comm_size_'
sander.o(.text+0x685): undefined reference to `mpi_comm_rank_'
...
(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

I tried it with mpich (1.2.6) and lam-mpi(7.1.1). (LAM_HOME and/or
MPICH_HOME was set). The libs (mpi lam etc.) can be found in the
specified directory ( in this case : /opt/lammpi-7.1.1/lib ). Later i
softlinked them to /usr/lib too.

I hope anyone can help with this problem.

Greetings
        René 

-- 

René Ranzinger
German Cancer Research Center
Central Spectroscopic Department - B090
Im Neuenheimer Feld 280
D-69120 Heidelberg
Tel: xx49-6221-424670
Email: r.ranzinger_at_dkfz-heidelberg.de
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu