[molpro-user] Mac OS X parallel installation

[jacek klos]

Hi Vincent,

On our Mac Pro I used the following options to configure molpro:
CONFIGURE_OPTIONS="-mpp" "-i8" "-mppbase" "/Users/jklos/GA/ga-4-0-7"  
"-var" "MPILIB=-L/usr/local/mpich2/lib -lpmpich -lmpich -lm"

As you can see I compiled also MPICH2.
Global arrays libs were following:
GALIB=-L/Users/jklos/GA/ga-4-0-7-mpich2/lib/MACX -ltcgmsg-mpi - 
lglobal -lma -lpario -larmci

I used ifort compiler, but I remember I tried g95 and it worked, the  
code was slower though.

Hope that helps a bit
Best
Jacek
__________________________________
Jacek Klos, Ph. D.
Department of Chemistry and Biochemistry
University of Maryland
College Park, MD 20742 USA
http://www.researcherid.com/rid/A-6457-2008
__________________________________





On Oct 28, 2008, at 11:42 AM, Vincent BOUDON wrote:

> Hi,
>
> I want to compile parallel Molpro on my Mac Intel (2 x 2.66 GHz Dual-
> Core Intel Xeon).
>
> I have installed Global Arrays.
>
> When I do:
>
> ./configure -mpp -mppbase /usr/local/ga-4-0-8
>
> I get:
>
> -----------
> machine type recognized as x86_64 (Generic 64-bit)
> kernel recognized as Darwin (Mac OS X)
>
> G95 Fortran Compiler, Version 0.91
> FC=/sw/bin/g95
>
> GNU Compiler Collection, Version 4.0.1
> CC=/usr/bin/gcc
>
> Use BLAS library - Mac OS X built in BLAS library
> BLASLIB=-L/System/Library/Frameworks/Accelerate.framework/Versions/
> Current/Frameworks/vecLib.framework/Versions/Current -lBLAS
>
> Enter BLAS linking flags or [Enter] for above
>
>
> Use LAPACK library - Mac OS X built in LAPACK library
> LAPACKLIB=-L/System/Library/Frameworks/Accelerate.framework/Versions/
> Current/Frameworks/vecLib.framework/Versions/Current -lLAPACK
>
> Enter LAPACK linking flags or [Enter] for above
>
>
> Use MPP library - Global Arrays with tcgmsg
> MPPLIB=-L/usr/local/ga-4-0-8/lib/MACX -ltcgmsg -lglobal -lma -lpario -
> larmci
>
> Enter MPP linking flags or [Enter] for above
>
> wrapper parallel not found in PATH
>
> Result so far of configure written to CONFIG.errout
> -----------
>
> So what can I do ? What shall I add in PATH ?
>
> Thanks in advance.
>
> Sincerely,
>
> Vincent Boudon.
>
> ---------------------------------------------------------------------- 
> -----
> Vincent BOUDON - Chercheur CNRS
>
> Equipe Spectroscopie Moléculaire et Applications
> Département Optique, Interaction Matière-Rayonnement
>
> Président de la Société Française de Physique Bourgogne Franche-Comté
>
> Institut Carnot de Bourgogne, UMR 5209 CNRS-Université de Bourgogne
> 9 Avenue Alain Savary, BP 47 870, F-21078 DIJON Cedex FRANCE
>
> Tel.   : +33 (0)3 80 39 59 17  /  Fax    : +33 (0)3 80 39 59 71
> E-mail : Vincent.Boudon at u-bourgogne.fr
> Web    : http://icb.u-bourgogne.fr/
> ---------------------------------------------------------------------- 
> -----
>
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