AMBER Archive (2006)

Subject: Re: AMBER: amber9 parralel compiling

From: David A. Case (case_at_scripps.edu)
Date: Thu Nov 30 2006 - 17:54:08 CST

On Thu, Nov 30, 2006, Nikola Trbovic wrote:

> Here's the output for the failing step and some warnings before it.

> g95 -ffree-form -o sander.MPI evb_vars.o evb_input.o evb_init.o

....

> qm_div.o force.o \
> ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
> ../lib/nxtsec.o ../lib/sys.a -L/usr/local/lam_amber/lib -
> L/usr/local/lam_amber/lib -llamf77mpi -lmpi -llam -lutil -ldl -lpthread
> evb_init.o(.text+0x4f7): In function `evb_init_':
> : undefined reference to `mpi_bcast_'

Try this:

cd /usr/local/lam_amber/lib
nm liblamf77mpi.a | grep bcast

Amber is expecting to see the entry "mpi_bcast_". Be sure you don't have
something that looks like this, but with an extra "_" before or after the
name. Note that amber compiles its fortran programs with the
"-fno-second-underscore" flag set, and it may be that you need this same
flag when building lam. (Or, leave it out from sander -- I can't remember why
this is there....)

...see if this helps clarify what is going on.....dac

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