compile cp2k error
sungen... at gmail.com
sungen... at gmail.com
Wed Dec 31 03:19:51 UTC 2014
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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