Compiling error with Intel compiler

[elbu... at gmail.com]

Hello Aniruddha M Dive!

You mentioned you were trying to install CP2K with openmpi-1.8.6, but in 
your arch file you have selected intel-mpi 
($(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a), and you are also 
using mpiifort instead of mpif90. You might have a conflict here. The intel 
compiler options seem fine to me, you just need to decide if you want to 
use Intel-MPI or Open-MPI.

If you want Open-MPI, you could try changing "libmkl_blacs_intelmpi_lp64.a" 
to "libmkl_blacs_openmpi_lp64.a" and mpiifort for mpif90, and see if it 
works.

I hope it helps,
Fabio

On Thursday, December 15, 2016 at 3:27:32 AM UTC-2, Aniruddha Dive wrote:
>
> Hi I am trying to compile CP2K using intel compilers. Following is my 
> Linux-x86-64-intel-host.psmp arch file
> # Arch file targeting Linux 64-bit using the Intel tool chain
> #
> CC       = icc
> CPP      =
> FC       = mpifort -FR
> LD       = mpifort
> AR       = ar -r
>
> #LIBXC_DIR = /home/adive/INTEL_CP2K/LIBXC/libxc-install
> #LIBINT_DIR = /home/adive/INTEL_CP2K/LIBINT/libint-install
> #LIBSMM_DIR = /home/h012/fiona/Projects/PRACE/lib/cp2klibs-intel
> #LIBGRID_DIR = /home/h012/fiona/Projects/PRACE/lib/cp2klibs-intel
>
> CPPFLAGS =
> DFLAGS   = -D__MKL -D__FFTW3 -D__parallel \
>            -D__SCALAPACK  -D__MPI_VERSION=3 \
> #           -I$(LIBXC_DIR)/include
> CFLAGS   = $(DFLAGS)
> MKLROOT = 
> /share/apps/intel_composer/compilers_and_libraries_2016.0.109/linux/mkl
> FCFLAGS  = $(DFLAGS) -O2 -g -traceback -pc64 -unroll -openmp -heap-arrays 
> 64 -fpp -free \
>            -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw
> FCFLAGS2  = $(DFLAGS) -O0 -g -traceback -pc64 -unroll -openmp -heap-arrays 
> 64 -fpp -free \
>            -I$(MKLROOT)/include -I$(MKLROOT)/include/fftw
> LDFLAGS  = $(FCFLAGS) -static-intel
> LDFLAGS_C = $(FCFLAGS) -static-intel -nofor-main
> LIBS     = $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a \
>            $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a \
>            $(MKLROOT)/lib/intel64/libmkl_sequential.a \
>            $(MKLROOT)/lib/intel64/libmkl_core.a \
>            $(MKLROOT)/lib/intel64/libmkl_intel_thread.a \
>            $(MKLROOT)/lib/intel64/libmkl_blacs_intelmpi_lp64.a \
>            -lpthread -lm -openmp \
>
> I am getting the below error when I try to compile
>
> /home/adive/INTEL_CP2K/cp2k-4.1/src/mpiwrap/message_passing.F(2119): error 
> #6285: There is no matching specific subroutine for this generic subroutine 
> call.   [MPI_BCAST]
>       CALL mpi_bcast(msg, msglen, MPI_LOGICAL, source, gid, ierr)
> -----------^
> /home/adive/INTEL_CP2K/cp2k-4.1/src/mpiwrap/message_passing.F(2680): error 
> #6285: There is no matching specific subroutine for this generic subroutine 
> call.   [MPI_ALLREDUCE]
>       CALL mpi_allreduce(msg, res, msglen, MPI_LOGICAL, MPI_LOR, gid, ierr)
> -----------^
> /home/adive/INTEL_CP2K/cp2k-4.1/src/mpiwrap/message_passing.F(2883): error 
> #6285: There is no matching specific subroutine for this generic subroutine 
> call.   [MPI_FILE_WRITE_AT]
>       CALL MPI_FILE_WRITE_AT(fh, offset, msg, LEN(msg), MPI_CHARACTER, 
> MPI_STATUS_IGNORE, ierr)
> -----------^
>
> I am using Intel_Compiler 2016, MKL_2016 and openmpi-1.8.6
>
> Kindly let me know what could be the issue.
>
> Regards,
> Aniruddha M Dive
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161216/42ec8be8/attachment.htm>