[Dock-fans] mpi - undefined reference

[Scott Brozell]

Hi,

On Thu, 6 Mar 2008, Gokcen Eren wrote:

> I'm still trying to install DOCK6.1:( My last error is this :
> 
> Starting installation of
> DOCK v6.1
> at Thu Mar  6 16:00:24 EET 2008.
> 
> cd ../src && make install
> make[1]: Entering directory `/home/gokcen/dock6/src'
> cd dock && make install
> make[2]: Entering directory `/home/gokcen/dock6/src/dock'
> cd nab && make
> make[3]: Entering directory `/home/gokcen/dock6/src/dock/nab'
> ar rv nab.a molio.o prm.o sff.o traceback.o select_atoms.o memutil.o
> reslib.o jacobi.o molutil.o chirvol.o regexp.o binpos.o time.o rand2.o
> conjgrad.o database.o tleap.o
> g++ -O2 -o dock6 amber_typer.o base_mpi.o base_score.o conf_gen.o dock.o
> dockmol.o library_file.o master_score.o orient.o score.o simplex.o
> sphere.oscore_solvent.o score_amber.o
> sasa.o score_chemgrid.o utils.o nab/nab.a -lm -lpthread
> base_mpi.o: In function `Base_MPI::barrier()':
> base_mpi.cpp:(.text+0x11e): undefined reference to `MPI_Barrier'

You did not define MPI_HOME.
Did you install and test the serial programs ?
It is likely that you should do this
cd install
make distclean
./configure gnu
make install
make test
If all this was successful and you want parallel dock then
./configure gnu parallel
...

Scott