[DFTB-Plus-User] Cannot compile DFTB+.MPI

[Vince Grimes]

	I have been trying to compile DFTB+ with MPI using the Intel 11.1-080 
compilers with OpenMPI 1.6.5. When I attempt to make in prg_dftb I get 
the following output:

make[1]: Entering directory 
`/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/src/prg_dftb/_obj_x86_64-linux-ifort'
make -C 
/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/src/prg_dftb/../../extlib/scalapackfx 
-f Makefile.dpint \
 
MYROOT=/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/src/prg_dftb/../../extlib/scalapackfx 
DEBUG=0 
USERMAKE=/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/src/prg_dftb/../Makefile.user 
\
 
STAMPFILE=/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/src/prg_dftb/_obj_x86_64-linux-ifort/_extlib_scalapackfx
make[2]: Entering directory 
`/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/extlib/scalapackfx'
make -C src \
             FXX="mpif90" FXXOPT="-O2 -ip" \
             LN="mpif90" LNOPT="" \
             M4="m4" M4OPT="" \
             -f "Makefile.lib"
make[3]: Entering directory 
`/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/extlib/scalapackfx/src'
m4  scalapackfx_common.F90 > scalapackfx_common.f90
mpif90 -O2 -ip -c scalapackfx_common.f90
m4  blacs.F90 > blacs.f90
mpif90 -O2 -ip -c blacs.f90
m4  blacsgrid.F90 > blacsgrid.f90
mpif90 -O2 -ip -c blacsgrid.f90
m4  blacsfx.F90 > blacsfx.f90
mpif90 -O2 -ip -c blacsfx.f90
blacsfx.f90(294): error #6731: Object is not a pointer object   [BUFFER]
   buffer(1:size(aa), 1:1) => aa(1:size(aa))
--^
blacsfx.f90(313): error #6731: Object is not a pointer object   [BUFFER]
   buffer(1:size(aa), 1:1) => aa(1:size(aa))
--^

[lots more "Obkject is not a pointer object" from the same file]

compilation aborted for blacsfx.f90 (code 1)
make[3]: *** [blacsfx.o] Error 1
rm blacsgrid.f90 scalapackfx_common.f90 blacsfx.f90 blacs.f90
make[3]: Leaving directory 
`/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/extlib/scalapackfx/src'
make[2]: *** [forced_submake] Error 2
make[2]: Leaving directory 
`/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/extlib/scalapackfx'
make[1]: *** [_extlib_scalapackfx] Error 2
make[1]: Leaving directory 
`/lustre/work/prog/dist/dftb+/dftb+.mpi-r4473/src/prg_dftb/_obj_x86_64-linux-ifort'
make: *** [_obj_x86_64-linux-ifort] Error 2

I followed the directions in README and README.PARALLEL, to no avail. 
How is this solved? If more information on the installation environment 
is needed I will be more than happy to provide it.

-- 
T. Vince Grimes, Ph.D.
CCC System Administrator

Texas Tech University
Dept. of Chemistry and Biochemistry (10A)
Box 41061
Lubbock, TX 79409-1061

(806) 834-0813 (voice);     (806) 742-1289 (fax)