Re: AMBER: amber9 parralel compiling

From: Seaclear Theory <oceanclear.gmail.com>
Date: Thu, 25 Jan 2007 18:15:05 -0800

HI! Nikola and David,

I have the exactly same problem. However, I cannot resolve it following this
email. Could you do me a favor provide a detial instruction for this issue?
I have the same compiler, installation directory and error meesage as
Nikola's. Thanks for your help very much!

Best,

Ocean

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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Received on Sun Jan 28 2007 - 06:07:29 PST
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