[CPMD-list] CPMD Installation on Mac OSX

[Chang Y. Won]

Dear Axel Kohlmeyer and  CPMD users, 

Here are further information of my system. 

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

Yes, I used the MACOSX-XLF-G5-MPI configuration. ( MACOSX-XLF-G5 works, but MACOSX-XLF-G5-MPI doesn't)
I tried both mpif77 and mpif90.
First, I tried MACOSX-XLF-G5-MPI as it is. The error is /usr/bin/ld: Undefined symbols:

Secondly, I changed mpif77 to mpif90.  With mpif90, the error I got is:

"./cpmd.f", line 222.7: 1515-019 (S) Syntax is incorrect
similar error for "./prop.inc," "./soft.inc", & "./system.h"

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

My system can provide:
IBM VAX and XLF, 
GCC 3.3
Absoft Forstran, 
G95. 
 
Based on MACOSX-XLF-G5-MPI, I guess I used IBM XLF. 



>can you compile and run _any_ fortran based MPI code?

I checked with my system compiler, mpif90. It works fine. 


My officemate installed LAMMPS (fortran based MPI) on the same machine. 

Thank you very much again. 

Regards, 

Chang Won 

---- Original message ----
>Date: Mon, 17 Dec 2007 03:53:06 -0500 (EST)
>From: Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>  
>Subject: Re: [CPMD-list] CPMD Installation on Mac OSX  
>To: "Chang Y. Won " <won2 at uiuc.edu>
>Cc: CPMD Mailing List <CPMD-list at cpmd.org>
>
>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> -------------------------------------------------------------------------
>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
>=======================================================================
>If you make something idiot-proof, the universe creates a better idiot.