[Dock-fans] Parallel

Mehdi Bozzo-Rey mehdi.bozzorey at gmail.com
Fri Oct 20 18:50:48 PDT 2006


Hi Gustavo,

You can try the following :

modify the config.h generated by "./configure gnu parallel" this way :

For mpich2 : add "-DMPICH_SKIP_MPICXX " to the CFLAGS :

CFLAGS=      -DBUILD_DOCK_WITH_MPI -DMPICH_IGNORE_CXX_SEEK - 
DMPICH_SKIP_MPICXX -I$(MPICH_HOME)/include -O2


For openmpi : add "-DOMPI_SKIP_MPICXX" to the CFLAGS. Don't follow  
the documentation that is on

CFLAGS=      -DBUILD_DOCK_WITH_MPI -DMPICH_IGNORE_CXX_SEEK - 
DOMPI_SKIP_MPICXX -I$(MPICH_HOME)/include -O2
---> don't follow the official openmpi documentation, there is a typo  
on their website ...


You can also try intel mpi. It should work with no modification  
(version 2.0.1).

Let me know if it works.

Cheers,

Mehdi






Hi all!



I have a problem when I am trying to install dock after  ./configure
gnu.parallel. Please see above:



korax at sg2gq1:~/bin/dock6/install> make all

Starting installation of DOCK 6.0 alpha at Fri Oct 20 17:42:22 BRST  
2006.



cd ../src; make install

make[1]: Entering directory `/home/sgi/teste/korax/bin/dock6/src'

cd dock; make install

make[2]: Entering directory `/home/sgi/teste/korax/bin/dock6/src/dock'

g++ -c  -DBUILD_DOCK_WITH_MPI -DMPICH_IGNORE_CXX_SEEK -I/include -O2 -o
amber_typer.o  amber_typer.cpp

In file included from /usr/include/mpi.h:1081,

                  from dock.h:28,

                  from amber_typer.cpp:1:

/usr/include/mpi++.h:1473: error: syntax error before numeric constant

make[2]: *** [amber_typer.o] Error 1

make[2]: Leaving directory `/home/sgi/teste/korax/bin/dock6/src/dock'

make[1]: *** [install] Error 2

make[1]: Leaving directory `/home/sgi/teste/korax/bin/dock6/src'

make: *** [install] Error 2



How can I fix this?



Cheers,

Gustavo.
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