[CPMD-list] Re help on compilation

Zak b.zarychta at phys.keele.ac.uk
Wed Jan 22 18:33:38 CET 2003


Dear Group,

I am trying to compile the latest version of the CPMD code on an intel PIII PC 
using IFC. I have configured the the Makefile to PC-IFC and at the suggestion 
of past e-mails appended the Configure file for the use of intel's mkl. 
${MKL_LIB} enviroment variable has been set to 
/opt/intel/mkl/lib/32/:/opt/intel/mkl/lib/64/ in .bashrc however the code 
does not compile and i get this error 

ld: cannot find -lmkl_itp
make: *** [cpmd.x] Error 1

The appendment to the Configure file is as follows:

  "PC-IFC")
     echo 'We use the Intel Library Kernel.' >&2
     if [ "${MKL_LIB}" = "" ]; then
       echo "The variable MKL_LIB gives the location of this library." >&2
       echo "The variable MKL_LIB does not exist or is empty." >&2
       exit 2
     fi
     IRAT=2
     CFLAGS=''
     CPP='/lib/cpp -P -C -traditional'
     CPPFLAGS='-D__Linux -D__PGI -DLAPACK -DFFT_DEFAULT -DLINUX_IFC'
#install 1
#    FFLAGS=''
#    LFLAGS='-llapack -lblas'
#install 2
#    FFLAGS=''
#    LFLAGS='-llapack -lf77blas -latlas -lf2c \
#install 3
#    FFLAGS=' -pc64 -unroll -w90 -w95'
     FFLAGS=' -pc64 -w90 -w95'
#    LFLAGS='-llapack -lf77blas -latlas -Vaxlib'
     LFLAGS='-L${MKL_LIB} -L${MKL_LIB2} -lmkl_lapack -lmkl_itp -lpthread 
-Vaxlib'
     FFLAGS_GROMOS='-Dgood_luck'
     if [ $debug ]; then
       FC='ifc -c -g'
       CC='gcc -g -Wall'
       LD='ifc -g'
     else
       FC='ifc -c -O3 -tpp6 -axiM'
       CC='gcc -O2 -Wall'
       LD='ifc -O3 -tpp6 -axiM'
     fi
     ;;

Any help would be greatly appretiated

Zak





More information about the CPMD-list mailing list