AMBER Archive (2006)

Subject: Re: AMBER: AMBER9: MacG5 parallel sander.MPI

From: Gert Kiss (mail_at_gertkiss.de)
Date: Sat Apr 29 2006 - 17:29:51 CDT

Dear In Hee Park,

The following link might help:
http://homepage.mac.com/wyuen/hpc/Menu11.html

If you are running MacOSX 10.4 (Tiger), follow the link 'LAM/MPI on
Tiger'. You will have to reinstall the compilers after selecting GCC
3.3 (there seems to be a problem with GCC 4), then compile LAM/MPI,
and finally AMBER.
This should take care of the error during compilation of serial AMBER.

Let me know, if this works for you,

Gert

On Apr 29, 2006, at 4:59 PM, In Hee Park wrote:

> Dear Amber users:
>
> Hello, I'm trying to install AMBER9 on the MacG5/PowerPC. I've
> tried to
> parallel compile with mpich(also tested with lam-mpi) and
> xlf90_macosx,
> fail to produce any of parallel executable.
>
> I've got the exactly same problem as posted by other user last year
> with
> AMBER8: (http://amber.ch.ic.ac.uk/archive/all/13655.html)
> Unfortunately at that time there was no reply to the original message,
> so I'm asking all of you about this again.
> ======================================+
> /usr/bin/ld: Undefined symbols:
> _mpi_bcast
> _mpi_irecv
> **********
> ***OMIT***
> **********
> _mpi_waitany
> _mpi_waitall
> _mpi_type_free
> make[1]: *** [sander.MPI] Error 1
> make: *** [parallel] Error 2
> ======================================+
>
> I also tried serial compile with xlf90_macosx compiler just following
> the `Amber on Macintoch' blog:
> (http://amberonmac.blogspot.com/2006/04/compiling-amber-9-on-g4g5-
> with-xl.html)
> then sander and other programs are created anyway. But I've also
> got the
> same error message also posted last year by another user, but no reply
> at that time, either: (http://amber.ch.ic.ac.uk/archive/
> 200508/0171.html)
>
> Especially for the parallel compile, could anyone help me out?
> Thank you-
>
> ______________________________________________________________________
> _____
> In Hee Park
>
> PS. The outputs during both parallel and serial are attached for more
> informtation.
> <amber9-parallel-mpich-xlf90_macosx.log>
> <amber9-serial-nopar-xlf90_macosx.log>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu