Re: AMBER: amber9 parralel compiling

From: David A. Case <>
Date: Sat, 27 Jan 2007 11:28:27 -0800

On Sat, Jan 27, 2007, Seaclear Theory wrote:

> When I did "> *> nm liblamf77mpi.a | grep bcast"
> I got
> bcast_f.o:
> 0000000000000000 T mpi_bcast__
   (note the second underscore)

> The compiling error is :
> ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
> ../lib/nxtsec.o ../lib/sys.a -L/usr/local/lib -L/usr/local/lib -llammpio
> -llamf77mpi -lmpi -llam -lutil -lpthread
> evb_init.o(.text+0x4f7): In function `evb_init_':
> : undefined reference to `mpi_bcast_'
   (no second underscore here)

It looks like you have compiled lam and sander with different compiler
options. You need to either recompile lam use "-fno-second-underscore" OR
remove that flag from your config.h file and recompile sander. I would
recommend the former course of action, since there may be some reason for
the flag being there for sander.

...good luck....dac
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Received on Sun Jan 28 2007 - 06:08:05 PST
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