AMBER Archive (2007)

Subject: Re: AMBER: amber9 parralel compiling

From: Seaclear Theory (oceanclear_at_gmail.com)
Date: Fri Jan 26 2007 - 12:55:43 CST

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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