[gmx-users] installation: gromacs on Mac.10.5.8 leopard

[Esztermann, Ansgar]

[This should have gone to the list]

Dear Ali,

gcc should be in /usr/bin (or some other bin, if you do not use Apple's compiler), not in /usr/lib nor /usr/local/lib. Do you have the developer tools installed? If not, get them from http://developer.apple.com/mac/ (they should also be on the OS DVDs, albeit in an older version).


Regards,

A.


On Jul 22, 2010, at 8:30 , KACHMAR Ali wrote:
> Dear Ansgar,

> 
> the config.log reads:
> 
> configure:3845: checking for cc option to accept ISO C89
> configure:3919: cc  -c -g -O2 -I/Users/alikachmar/software/include conftest.c >&5
> configure:3925: $? = 0
> configure:3948: result: none needed
> configure:3977: checking for style of include used by make
> configure:4005: result: GNU
> configure:4030: checking dependency style of cc
> configure:4121: result: gcc3
> configure:4419: checking dependency style of cc
> configure:4510: result: gcc3
> configure:4535: checking for mpxlc
> configure:4565: result: no
> configure:4535: checking for mpicc
> configure:4551: found /usr/bin/mpicc
> configure:4562: result: mpicc
> configure:4576: checking whether the MPI cc command works
> configure:4600: mpicc -o conftest -g -O2 -I/Users/alikachmar/software/include -L/Users/alikachmar/software/lib conftest.c  >&5
> --------------------------------------------------------------------------
> The Open MPI wrapper compiler was unable to find the specified compiler
> gcc in your PATH.
> 
> Note that this compiler was either specified at configure time or in
> one of several possible environment variables.
> 
> --------------------------------------------------------------------------
> configure:4606: $? = 1
> configure: failed program was:
> | /* confdefs.h.  */
> | #define PACKAGE_NAME "gromacs"
> | #define PACKAGE_TARNAME "gromacs"
> | #define PACKAGE_VERSION "4.0.5"
> | #define PACKAGE_STRING "gromacs 4.0.5"
> | #define PACKAGE_BUGREPORT "gmx-users at gromacs.org"
> | #define PACKAGE "gromacs"
> | #define VERSION "4.0.5"
> | #define GMX_SOFTWARE_SQRT
> | #define GMX_QMMM_GAUSSIAN
> | #define BUILD_TIME "Thu Jul 22 07:52:36 CEST 2010"
> | #define BUILD_USER "alikachmar at Macintosh.local"
> | #define BUILD_MACHINE "Darwin 9.8.0 i386"
> | /* end confdefs.h.  */
> | #include <mpi.h>
> | int
> | main ()
> | {
> | int argc; char **argv; MPI_Init(&argc,&argv);
> |   ;
> |   return 0;
> | }
> configure:4618: error: Cannot compile and link MPI code with mpicc
> 
> 
> my .bash_profile:
> 
> 
> # Setting PATH for Python 2.7
> # The orginal version is saved in .bash_profile.pysave
> PATH="/Library/Frameworks/Python.framework/Versions/2.7/bin:${PATH}"
> export PATH
> 
> # Setting PATH for MacPython 2.6
> # The orginal version is saved in .bash_profile.pysave
> PATH="/Library/Frameworks/Python.framework/Versions/2.6/bin:${PATH}"
> export PATH
> 
> export PATH=$PATH:/usr/local/lib
> export PATH=$PATH: /usr/bin/mpicc
> export PATH=$PATH:/usr/local/lam/bin/
> 
> source /usr/local/gromacs/bin/GMXRC
> 
> export CPPFLAGS=-I/usr/local/openmpi/include
> 
> 
> PS: the gcc is under the directory: /usr/local/lib or /usr/lib.
> 
> Thanks.
> 
> Ali
> 
> 
> 
> > From: Ansgar.Esztermann at mpi-bpc.mpg.de
> > To: gmx-users at gromacs.org
> > Date: Wed, 21 Jul 2010 12:15:25 +0200
> > Subject: Re: [gmx-users] installation: gromacs on Mac.10.5.8 leopard
> > 
> > 
> > On Jul 21, 2010, at 11:07 , KACHMAR Ali wrote:
> > 
> > > checking whether the MPI cc command works... configure: error: Cannot compile and link MPI code with mpicc
> > 
> > 
> > This is the immediate problem: something goes wrong when compiling a test program with mpicc. If you look into the configure log, you should find a more detailed explanation of what went wrong (somewhere near the end). 
> > 
> > Regards,
> > 
> > A.
> > -- 
> > Ansgar Esztermann
> > DV-Systemadministration
> > Max-Planck-Institut für biophysikalische Chemie, Abteilung 105
> > 
> > -- 
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-- 
Ansgar Esztermann
DV-Systemadministration
Max-Planck-Institut für biophysikalische Chemie, Abteilung 105