[CP2K:5006] cp2k-2.5.0: linking fes

[Ole Schütt]

Hi Michael,

I committed a fix to svn. Please try again.

-Ole


On 2014-02-28 17:22, Michael Banck wrote:
> Hi,
> 
> I tried to build cp2k-2.5.0 on Linux/gfortran, but when it tried to 
> link
> fes, there were lots of undefined references:
> 
> gfortran -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize
> -ffree-form -ffree-line-length-none -D__GFORTRAN -D__FFTSG -D__FFTW3
> -D__LIBINT -D__LIBXC2 -D__parallel -D__BLACS -D__SCALAPACK
> -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri 
> Feb
> 28 10:37:16 UTC 2014\"" -D__COMPILE_HOST="\"hartree\""
> -D__COMPILE_REVISION="\"svn:13632\""  -o
> /«PKGBUILDDIR»/makefiles/../exe/Linux-x86_64-gfortran/fes.popt graph.o
> machine.o memory_utilities.o periodic_table.o string_utilities.o
> f77_blas.o f77_blas_extra.o f77_blas_generic.o f77_blas_netlib.o
> f77_blas_poison.o kinds.o graph_methods.o graph_utils.o mathconstants.o
> glob_matching.o termination.o cp_para_types.o message_passing.o
> c_mpi_calls.o timings.o cuda_profiling.o dict.o dict_i4tuple_callstat.o
> timings_base_type.o dict_str_i4.o list.o list_callstackentry.o
> list_routinestat.o list_timerenv.o timings_types.o cp_log_handling.o
> cp2k_info.o input_constants.o cp_files.o cp_iter_types.o
> cp_error_handling.o physcon.o list_routinereport.o
> graph.o: In function `graph':
> /«PKGBUILDDIR»/makefiles/../src/metadyn_tools/graph.F:88: undefined
> reference to `__machine_internal_MOD_m_iargc'
> [...]
> termination.o: In function `stop_program':
> /«PKGBUILDDIR»/makefiles/../src/termination.F:384: undefined reference
> to `__machine_internal_MOD_m_flush'
> [...]
> message_passing.o: In function `__message_passing_MOD_mp_abort':
> /«PKGBUILDDIR»/makefiles/../src/message_passing.F:781: undefined
> reference to `mpi_abort_'
> 
> I guess I'm doing something wrong with my (taken from cp2k-2.4.0, where
> I had no issues) arch-file, which goes:
> 
> |CC       = mpicc
> |CPP      =
> |FC       = mpif90
> |LD       = gfortran
> |AR       = ar -r
> |DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 $(FFTW3_ALIGN) -D__LIBINT
> |  -D__LIBXC2 -D__parallel -D__BLACS -D__SCALAPACK
> |CPPFLAGS = -C -traditional $(DFLAGS)
> |FCFLAGS  = -g -Wall -O2 -ffast-math -funroll-loops -ftree-vectorize
> |  -ffree-form -ffree-line-length-none $(DFLAGS)
> |LDFLAGS  = $(FCFLAGS)
> |LIBS     = -llapack -lblas -lfftw3 -lint -lderiv -lxc -lmpi -lmpif90
> |  -lmpif77 $(LIB_BLACS) $(LIB_SCALAPACK)
> |OBJECTS_ARCHITECTURE = machine_gfortran.o
> 
> (I'll get rid of OBJECTS_ARCHITECTURE now as it has been removed, but I
> don't think that could be the culprit?)
> 
> Indeed, fes gets linked without $(LIB_ALL) and $(LIBS) (line 397 in
> makefiles/Makefile), is this supposed to work?  Or is nobody building
> fes?
> 
> I'm using the attached patch, it might be ok to apply anyway, even if I
> made a silly mistake elsewhere.
> 
> 
> Michael
> 
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