Quote:

Gennady Fedorov (Intel) wrote:

Joseph,
yes, please check the LD_LIBRARY_PATH first of all or try to use the existing scripts: \bin\mklvars.sh intel64 for setting all required paths.
in the case if these settings will not help - give us the linking line you use for building this application.
here is the link to the MKL Linker Adviser for your reference:
http://software.intel.com/sites/products/mkl/

--Gennady

Hi Gennady,

Thank you for your response i tried using mklvars.sh intel 64 to set any required paths but I still get the same error. The following is the linking line I have used

-L/opt/intel/mkl/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_cdft_core -lmkl_gf_ilp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_ilp64 -ldl -lpthread -lm -L/opt/intel/lib/intel64 -liomp5

Quote:

Gennady Fedorov (Intel) wrote:

Hi,
We have checked the problem with the latest version 11.0 update1 and see no problems.
We have used on of VSL example ( vsldbasicstats.f ) from \examples\vslf\source\ directory.
Would you please check if you can build and execute this example too and please let us know the results.
in the case if any further problem - please give us your example for checking the problem on our side.

one more note - you use ILP64 interfaces, therefore you need to add the following compiler options:
-fdefault-integer-8 -m64

--Gennady

Hi Gennady,

Thanks again fro your response. It seems that I get the runtime error whenever i compile Fortran with gfortran (4.6.3), however when I compile with ifort, the error is not there. That is very weird. The program I am trying to build with MKL is NWChem a computational chemistry software you can download the source http://www.nwchem-sw.org/download.php?f=Nwchem-6.1.1-src.2012-06-27.tar.gz (it is GPL) .
This is the bash script you will need to use to buld the application (you will need to run the script inside the "src" directory)

#!/bin/bash

export NWCHEM_TOP=/home/doudou/Programs/nwchem-6.1.1-mkl

export NWCHEM_TARGET=LINUX64

export USE_MPI=y

export USE_MPIF=y

export USE_MPIF4=y

export MPI_LOC=/home/doudou/Programs/OpenMPI

export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -lpthread"

export MPI_LIB=$MPI_LOC/lib

export MPI_INCLUDE=$MPI_LOC/include

export LARGE_FILES=TRUE

export NWCHEM_MODULES=all

export MKLROOT=/opt/intel/mkl

export BLASOPT="-L$MKLROOT/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_cdft_core -lmkl_gf_ilp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_ilp64 -ldl -lpthread -lm -L/opt/intel/lib/intel64 -liomp5"

make clean

make FC=gfortran FFLAGS="-fdefault-integer-8 -m64"  nwchem_config

make FC=gfortran FFLAGS="-fdefault-integer-8 -m64"  HAS_BLAS=yes

Thanks again for your help

Quote:

mecej4 wrote:

If you want help with compiling a huge application (~80 MB of source code) with GFortran, you should probably seek that help elsewhere.

If you can make up a small example that encapsulates the build problems that you experienced and establish that there is, indeed, a problem with a specific set of MKL routines, you could post that here.

I dont need help with compiling with gfortran (in case you have not read the title of thread), the code compiles fine nad I am able to link all the libraries fine, except when it was compiled with gfortran I get a runtime error, I dont get this error with ifort.