<div dir="ltr">Hi, Marco,<br><br> Thanks for reply, <br><br>  I changed the version of gfortran, and it works.<br>  So I think this may be the error of the complier itself.<br><br><br><br>在 2015年1月10日星期六 UTC+8上午3:07:06，Marco写道：<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hello,<br><br>Compiling is always a big issue in the sense that it involves a lot factors. <br>Maybe you have already compiled the code. If not, a couple of suggestions are:<br><br>(1) include -D__GFORTRAN in the DFLAGS section<br>(2) add this to the LIB section:<br>-L/path/to/openmpi/lib/libmpi.<wbr>a<br><br>-Marco<br><br><br>On Tuesday, December 30, 2014 at 10:19:51 PM UTC-5, <a>sung...@gmail.com</a> wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hello everyone, <br><br>   I am compiling tthe cp2k  gfotran x86_64 gfotran , version<br><br>  while the arch file , here<br><br># Tested with: GFortran 4.9.1, MPICH 3.1, LAPACK 3.5.0, ScaLAPACK 2.0.2<br>CC         = /vol6/home/jiangh/bin/gcc<br>CPP        =<br>FC         = /vol6/home/jiangh/members/<wbr>sungeng/prog/openmpi-1.8.4/<wbr>build_30Dec14_gfortran.4.9.2/<wbr>bin/mpifort<br>LD         = /vol6/home/jiangh/members/<wbr>sungeng/prog/openmpi-1.8.4/<wbr>build_30Dec14_gfortran.4.9.2/<wbr>bin/mpifort<br>AR         = ar -r<br>#FFTW_INC   = $(GCC_DIR)/fftw/3.3-gnu/<wbr>include<br>#FFTW_LIB   = $(GCC_DIR)/fftw/3.3-gnu/lib64<br>MPI_INC = /vol6/home/jiangh/members/<wbr>sungeng/prog/openmpi-1.8.4/<wbr>build_30Dec14_gfortran.4.9.2/<wbr>include<br>MPI_LIB = /vol6/home/jiangh/members/<wbr>sungeng/prog/openmpi-1.8.4/<wbr>build_30Dec14_gfortran.4.9.2/<wbr>lib<br>FFTW_INC   =/vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/fftw-3.3.4/<wbr>build_30Dec14_gfortran4.9.2/<wbr>include<br>FFTW_LIB   =/vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/fftw-3.3.4/<wbr>build_30Dec14_gfortran4.9.2/<wbr>lib<br>#LIBINT_INC = $(GCC_DIR)/libint/1.1.4-LARGE_<wbr>L-gnu/include<br>#LIBINT_LIB = $(GCC_DIR)/libint/1.1.4-LARGE_<wbr>L-gnu/lib64<br>LIBXC_INC   =/vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/libxc-2.0.1/<wbr>build_30_dec14_gfortran4.9.2/<wbr>include<br>LIBXC_LIB   =/vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/libxc-2.0.1/<wbr>build_30_dec14_gfortran4.9.2/<wbr>lib<br>#DFLAGS     = -D__FFTW3 -D__LIBINT -D__LIBXC2\<br>#             -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4\<br>#             -D__parallel -D__SCALAPACK<br>DFLAGS     = -D__FFTW3 -D__LIBXC2 -D__parallel -D__SCALAPACK<br>CPPFLAGS   =<br>FCFLAGS    = $(DFLAGS) -O2 -ffast-math -ffree-form -ffree-line-length-none\<br>             -ftree-vectorize -funroll-loops\<br>             -mtune=native -I$(FFTW_INC) -I$(LIBXC_INC) -I$(MPI_INC) -L$(MPI_LIB)<br>LDFLAGS    = $(FCFLAGS) -static-libgfortran<br>LIBS       = /vol6/home/jiangh/members/<wbr>sungeng/prog/scalapack-2.0.2/<wbr>libscalapack.a\<br>             /vol6/home/jiangh/members/<wbr>sungeng/prog/lapack-3.5.0_<wbr>gfortran4.9.2/liblapack.a\<br>             /vol6/home/jiangh/members/<wbr>sungeng/prog/lapack-3.5.0_<wbr>gfortran4.9.2/librefblas.a\<br>             $(FFTW_LIB)/libfftw3.a\<br>             $(LIBXC_LIB)/libxc.a\<br><br>but an errro happend when compiling message_passing.F,<br><br>like this<br>/vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/abmd/src/<wbr>mpiwrap/message_z_passing.f90:<wbr>1819.75:<br>    Included at /vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/abmd/src/<wbr>mpiwrap/message_passing.F:<wbr>3022:<br><br>         msglen_out,MPI_DOUBLE_COMPLEX,<wbr>source,recv_tag,comm,status(1)<wbr>,ierr)<br>                              <wbr>                              <wbr>               1<br>Error: There is no specific subroutine for the generic 'mpi_sendrecv' at (1)<br>/vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/abmd/src/<wbr>mpiwrap/message_z_passing.f90:<wbr>1770.75:<br>    Included at /vol6/home/jiangh/members/<wbr>sungeng/prog/abmd/abmd/src/<wbr>mpiwrap/message_passing.F:<wbr>3022:<br><br>         msglen_out,MPI_DOUBLE_COMPLEX,<wbr>source,recv_tag,comm,status(1)<wbr>,ierr)<br>                              <wbr>                              <wbr>               1<br>Error: There is no specific subroutine for the generic 'mpi_sendrecv' at (1)<br><br>.....<br><br>Anyone has some ideas why this error occurs ?<br><br>thank you !<br><br><br>Geng sun<br><br><br></div></blockquote></div></blockquote></div>