AMBER: Compiling the parallel version of amber 8 in a beowulf linux cluster

From: Carlos Silva Lopez <>
Date: Tue, 28 Feb 2006 18:30:42 +0100


I have been so far succesful compiling amber 8 in serial mode in a linux
environment. But when I tried to compile the parallel code with the
MPICH libraries I get tons of errors like:

sander.o(.text+0x8b):_sander.f: undefined reference to `mpi_barrier_'
sander.o(.text+0xff):_sander.f: undefined reference to `mpi_bcast_'
sander.o(.text+0x369):_sander.f: undefined reference to `mpi_bcast_'
sander.o(.text+0x3a2):_sander.f: undefined reference to `mpi_bcast_'
parallel.o(.text+0x8b):_parallel.f: undefined reference to `mpi_bcast_'
parallel.o(.text+0xc4):_parallel.f: undefined reference to `mpi_bcast_'
debug.o(.text+0x5d54):_debug.f: undefined reference to `mpi_reduce_'
debug.o(.text+0x5e22):_debug.f: undefined reference to `mpi_reduce_'
debug.o(.text+0x6353):_debug.f: undefined reference to `mpi_barrier_'
debug.o(.text+0x657c):_debug.f: undefined reference to `mpi_reduce_'
debug.o(.text+0x664a):_debug.f: undefined reference to `mpi_reduce_'

It looks like the code is not finding the mpif.h file even though my
environment variable MPICH_HOME points to the home folder where this
library resides:


the library actually resides in /lscratch/mpich-1.2.6/include

Thanks for any hint you might provide

Dr. Carlos Silva Lopez          Fac. Ciencias
Dpt. Quimica Organica           Lagoas (Marcosende) s/n
Universidade de Vigo            web:
Researcher                      voice: +34986813721
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Received on Sun Mar 05 2006 - 06:10:10 PST
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