compile cp2k error

[Marco]

Hello,

Compiling is always a big issue in the sense that it involves a lot 
factors. 
Maybe you have already compiled the code. If not, a couple of suggestions 
are:

(1) include -D__GFORTRAN in the DFLAGS section
(2) add this to the LIB section:
-L/path/to/openmpi/lib/libmpi.a

-Marco


On Tuesday, December 30, 2014 at 10:19:51 PM UTC-5, sung... at gmail.com 
wrote:
>
> Hello everyone, 
>
>    I am compiling tthe cp2k  gfotran x86_64 gfotran , version
>
>   while the arch file , here
>
> # Tested with: GFortran 4.9.1, MPICH 3.1, LAPACK 3.5.0, ScaLAPACK 2.0.2
> CC         = /vol6/home/jiangh/bin/gcc
> CPP        =
> FC         = 
> /vol6/home/jiangh/members/sungeng/prog/openmpi-1.8.4/build_30Dec14_gfortran.4.9.2/bin/mpifort
> LD         = 
> /vol6/home/jiangh/members/sungeng/prog/openmpi-1.8.4/build_30Dec14_gfortran.4.9.2/bin/mpifort
> AR         = ar -r
> #FFTW_INC   = $(GCC_DIR)/fftw/3.3-gnu/include
> #FFTW_LIB   = $(GCC_DIR)/fftw/3.3-gnu/lib64
> MPI_INC = 
> /vol6/home/jiangh/members/sungeng/prog/openmpi-1.8.4/build_30Dec14_gfortran.4.9.2/include
> MPI_LIB = 
> /vol6/home/jiangh/members/sungeng/prog/openmpi-1.8.4/build_30Dec14_gfortran.4.9.2/lib
> FFTW_INC   
> =/vol6/home/jiangh/members/sungeng/prog/abmd/fftw-3.3.4/build_30Dec14_gfortran4.9.2/include
> FFTW_LIB   
> =/vol6/home/jiangh/members/sungeng/prog/abmd/fftw-3.3.4/build_30Dec14_gfortran4.9.2/lib
> #LIBINT_INC = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/include
> #LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-LARGE_L-gnu/lib64
> LIBXC_INC   
> =/vol6/home/jiangh/members/sungeng/prog/abmd/libxc-2.0.1/build_30_dec14_gfortran4.9.2/include
> LIBXC_LIB   
> =/vol6/home/jiangh/members/sungeng/prog/abmd/libxc-2.0.1/build_30_dec14_gfortran4.9.2/lib
> #DFLAGS     = -D__FFTW3 -D__LIBINT -D__LIBXC2\
> #             -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\
> #             -D__parallel -D__SCALAPACK
> DFLAGS     = -D__FFTW3 -D__LIBXC2 -D__parallel -D__SCALAPACK
> CPPFLAGS   =
> FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\
>              -ftree-vectorize -funroll-loops\
>              -mtune=native -I$(FFTW_INC) -I$(LIBXC_INC) -I$(MPI_INC) 
> -L$(MPI_LIB)
> LDFLAGS    = $(FCFLAGS) -static-libgfortran
> LIBS       = 
> /vol6/home/jiangh/members/sungeng/prog/scalapack-2.0.2/libscalapack.a\
>              
> /vol6/home/jiangh/members/sungeng/prog/lapack-3.5.0_gfortran4.9.2/liblapack.a\
>              
> /vol6/home/jiangh/members/sungeng/prog/lapack-3.5.0_gfortran4.9.2/librefblas.a\
>              $(FFTW_LIB)/libfftw3.a\
>              $(LIBXC_LIB)/libxc.a\
>
> but an errro happend when compiling message_passing.F,
>
> like this
>
> /vol6/home/jiangh/members/sungeng/prog/abmd/abmd/src/mpiwrap/message_z_passing.f90:1819.75:
>     Included at 
> /vol6/home/jiangh/members/sungeng/prog/abmd/abmd/src/mpiwrap/message_passing.F:3022:
>
>          msglen_out,MPI_DOUBLE_COMPLEX,source,recv_tag,comm,status(1),ierr)
>                                                                            
> 1
> Error: There is no specific subroutine for the generic 'mpi_sendrecv' at 
> (1)
>
> /vol6/home/jiangh/members/sungeng/prog/abmd/abmd/src/mpiwrap/message_z_passing.f90:1770.75:
>     Included at 
> /vol6/home/jiangh/members/sungeng/prog/abmd/abmd/src/mpiwrap/message_passing.F:3022:
>
>          msglen_out,MPI_DOUBLE_COMPLEX,source,recv_tag,comm,status(1),ierr)
>                                                                            
> 1
> Error: There is no specific subroutine for the generic 'mpi_sendrecv' at 
> (1)
>
> .....
>
> Anyone has some ideas why this error occurs ?
>
> thank you !
>
>
> Geng sun
>
>
>
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