[CPMD-list] CPMD Installation on Mac OSX

[Axel Kohlmeyer]

On Sun, 16 Dec 2007, Chang Y. Won  wrote:

CW> Dear CPMD, 

dear chang won,


CW> I'm trying to compile CPMD on Mac Os X Ver. 10.3, MPICH version of 
CW> IBM-XLF and latest version of CPMD. On the same machine, the serial 
CW> executable CPMD works fine. I read LAM/MPI is suggested to use for 
CW> linux, but I can't use any other any communications packages, except 
CW> MPICH or Charm++ for some reasons.

CPMD uses only a small subset of the MPI-1 standard 
and thus should work with _any_ MPI package. 

LAM/MPI is deprecated by their developers. if i would 
recommend any MPI package now, it would be OpenMPI.
 
CW> Below is what I got:
CW> 
CW> Right above the "/usr/bin/ld: Undefined symbols" I had warning and error. I attch those too. 
CW> ---------------------------------
CW> /usr/bin/ld: warning suggest use of -bind_at_load, as lazy binding may result in errors or different symbols being used
CW> symbol _system used from dynamic library /usr/lib/libm.dylib(system.So) not from earlier dynamic library /turing/software/lib/libgm.0.dylib(gm_fork_system.lo) 
CW> symbol _fork used from dynamic library /usr/lib/libm.dylib(fork.So) not from earlier dynamic library /turing/software/lib/libgm.0.dylib(gm_fork_system.lo)
CW> /usr/bin/ld: Undefined symbols:
CW> _hostnm__
CW> _getcwd__
CW> _getpid__
CW> _getuid__
CW> _malloc_
CW> _free_
CW> _fdate__
CW> _flush__
CW> _getlog__
CW> _sleep__
CW> make: *** [cpmd.x] Error 1
CW> ---------------------
CW> 


CW> If anyone has any idea how to compile CPMD on Mac OSX, please give 
CW> me your feedback.

you have to provide more information, before people can
help you. several people on this list here (and i) have
successfully compiled and run cpmd on PPC based mac os
machines, but each machine may need some little tweaks,
and both apple and IBM keep changing how you have to
use their compilers and libraries. please check your
documentation for any special changes needed. 

did you use the MACOSX-XLF-G5-MPI configuration?

what are the compiler/linker flags that you are using?

can you compile and run _any_ fortran based MPI code?

cheers,
   axel.

CW> 
CW> Thank you very much. I'd really appreciate it.
CW> 
CW> Regards, 
CW> 
CW> Chang Won 
CW> 
CW> Chang Yeon Won
CW> -------------------------------------------------------------------------
CW> Grad. Res. Asst. (Ph.D Candidate)
CW> Computational MEMS/Nano Lab
CW> 3213 Beckman Institute 
CW> University of Illinois at Urbana-Champaign    
CW> 405 N. Mathews Avenue
CW> Urbana, IL 61801                            Office (217)244-1964
CW> -------------------------------------------------------------------------
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CW> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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