Re: [apbs-users] FW: compiling APBS 1.4.1 with MPI support

[Steven L. <ste...@gm...>]

Hi Miguel,

It looks list HAVE_MPI_H wasn't defined after you ran cmake
Could I get you to send me your apbscfg.h (in src/apbscfg.h) and the output
from cmake and make?

-Steven


On Thu, Nov 29, 2012 at 4:18 PM, Libby, Steven <Ste...@pn...>wrote:

>
>
> -----Original Message-----
> From: Monson, Kyle E
> Sent: Thursday, November 29, 2012 9:51 AM
> To: Libby, Steven
> Cc: Baker, Nathan
> Subject: FW: [apbs-users] compiling APBS 1.4.1 with MPI support
>
> Steven should probably help with this one. I'll get him an account on my
> mac if needed.
>
> -----Original Message-----
> From: Miguel Ortiz Lombardía [mailto:
> mig...@af...]
> Sent: November 29, 2012 05:18
> To: apb...@li...
> Subject: [apbs-users] compiling APBS 1.4.1 with MPI support
>
> Hi,
>
> Perhaps this has been discussed earlier in the list, but I couldn't find
> any relevant information. If so, please excuse me and send me a link with
> that information.
>
> I would like to compile APBS 1.4.1 with MPI support. Following the
> documentation on the compilation via cmake does not seem to generate an
> MPI-compatible binary, even if I can see that MPI libraries are found and
> that I get a "MPI enabled" message.
>
> On running apbs (mpirun -n <n> apbs ...) I always get:
>
> > NOsh_setupCalcMGPARA:  Oops!  You're trying to perform an 'mg-para'
> > (parallel) calculation
> > NOsh_setupCalcMGPARA:  with a version of APBS that wasn't compiled with
> MPI!
>
> I have tried to compile with:
>
> CC=mpicc CXX=mpicxx cmake ..
> CC=mpicc CXX=mpicxx make
>
> to force the use of the mpi compilers (based on intel compilers
> 12.1.0.20120928) but the produced binary gives the same runtime error.
>
> I forgot to say, this is on a mac with Snow Leopard Server (10.6.8)
>
> Cheers,
>
> --
> Miguel Ortiz Lombardía
>
> Architecture et Fonction des Macromolécules Biologiques (UMR7257) CNRS,
> Aix-Marseille Université Case 932, 163 Avenue de Luminy, 13288 Marseille
> cedex 9, France
> Tel: +33(0) 491 82 55 93
> Fax: +33(0) 491 26 67 20
> mailto:mig...@af...
> http://www.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
>
>
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