<div dir="ltr">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 </div>