AMBER Archive (2006)

Subject: Re: AMBER: amber9 parralel compiling

From: Nikola Trbovic (nt2146_at_columbia.edu)
Date: Fri Dec 01 2006 - 10:46:33 CST

Thanks a lot! That worked.

Nikola Trbovic

On Thu, 2006-11-30 at 15:54 -0800, David A. Case wrote:
> 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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