>>I haven't tested it with cuda. The error message says it is needed for
>>cuda but I can't see why...
AFAIK the pmemd cuda code calls MPI libs from C++ code, hence it needs
libmpi_cxx (when using openmpi) but not when using other mpis, as they
provide the same calls from within things like libmpich etc etc that
are build into the mpifc command
>>I include in attachement a possible workaround.
That seems to be OK but rather than add a linker "-nofor-main" I'd
rather just have a fortran main, seeing as that is how pmemd and
sander are actually organised.
I'll do some testing and commit the fix once I've tried a few different builds.
Josh
On 26/01/2014, Gerald Monard <Gerald.Monard.univ-lorraine.fr> wrote:
> Hi,
>
> After some checkings, the problem appears only when using the intel
> compiler.
> I include in attachement a possible workaround.
> I haven't tested it with cuda. The error message says it is needed for
> cuda but I can't see why...
>
> Gerald.
>
> On 01/25/2014 11:59 PM, Gerald Monard wrote:
>> Hi,
>>
>> Since commit 772a27496687c677c20a2bd773671120c1dbbad9, configure2
>> fails with my installation either with mpich2 (mpich-3.0.4) or openmpi
>> (openmpi-1.6.5) when using at least the intel compiler:
>>
>> Configuring fftw-3.3 for mdgx (may be time-consuming)...
>>
>> fftw-3.3 configure succeeded.
>>
>> Error! Could not link C++ mpi code using mpi fortran linker:
>> "mpif90 -lstdc++ -lmpi_cxx"
>> [C++ / fortran / MPI] cross-linking is needed for CUDA and EMIL builds.
>> Try: "mpif90 -show"
>> Configure failed due to the errors above!
>>
>> If I remove these new tests in configure2, I can still compile correctly
>> sander.MPI and pmemd.MPI (but I didn't test cuda).
>>
>> It seems that the dashboard shows the problem also.
>>
>> Gerald.
>>
>
> --
> ____________________________________________________________________________
>
> Prof. Gerald MONARD
> SRSMC, Université de Lorraine, CNRS
> Boulevard des Aiguillettes B.P. 70239
> F-54506 Vandoeuvre-les-Nancy, FRANCE
>
> e-mail : Gerald.Monard.univ-lorraine.fr
> tel. : +33 (0)383.684.381
> fax : +33 (0)383.684.371
> web : http://www.monard.info
>
> ____________________________________________________________________________
>
>
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Received on Mon Jan 27 2014 - 01:30:02 PST
