[DFTB-Plus-User] I found compiling error in dftb+MPI . How it can be solved?

Anurak Udomvej nu_fermi1 at yahoo.com
Mon May 5 08:42:02 CEST 2014


I tried to compile DFTB+ with MPI using the Intel composer_xe_2011_sp1.13.367
compilers with OpenMPI 1.6.5. I followed the directions in README and README.PARALLEL. 
When I attempt to make in prg_dftb, I get the following output error:
make -C src \ FXX="mpif90" FXXOPT="-O2 -ip" \ LN="mpif90" LNOPT="" \ M4="m4" M4OPT="" \ -f "Makefile.lib"
make[3]: Entering directory `/electron_local/cal-packages/DFTB/p-dftb/dftb+.mpi-r4473/extlib/scalapackfx/src'
m4  scalapackfx_common.F90 > scalapackfx_common.f90
mpif90 -O2 -ip -c scalapackfx_common.f90
f951: error: unrecognized command line option "-ip"
make[3]: *** [scalapackfx_common.o] Error 1
rm scalapackfx_common.f90
make[3]: Leaving directory `/electron_local/cal-packages/DFTB/p-dftb/dftb+.mpi-r4473/extlib/scalapackfx/src'
make[2]: *** [forced_submake] Error 2
make[2]: Leaving directory `/electron_local/cal-packages/DFTB/p-dftb/dftb+.mpi-r4473/extlib/scalapackfx'
make[1]: *** [_extlib_scalapackfx] Error 2
make[1]: Leaving directory `/electron_local/cal-packages/DFTB/p-dftb/dftb+.mpi-r4473/src/_obj_x86_64-linux-ifort'
make: *** [/electron_local/cal-packages/DFTB/p-dftb/dftb+.mpi-r4473/src/_obj_x86_64-linux-ifort] Error 2


How is this error can be solved? 
Thanks for any help
 
*************************************************************************
Anurak Udomvech, PhD.
Research Laboratory for Intelligence Materials Design,  Discovery and Developments (RLIMD^3)
Department of Physics, Faculty of Science, 
Thaksin University, Songkhla+Pattalung Campus, Thailand.
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