compile cp2k error

[sungen... at gmail.com]

Hi, Marco,

 Thanks for reply, 

  I changed the version of gfortran, and it works.
  So I think this may be the error of the complier itself.



在 2015年1月10日星期六 UTC+8上午3:07:06，Marco写道：
>
> 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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