I install ifort 9.1.043and mkl 9.1.023 to compile vasp.
First I set in .bashrc
source /opt/intel/fc/9.1.043/bin/ifortvars.sh
source /opt/intel/mkl/9.1.023/tools/environment/mklvars32.sh
And add in etc/ld.so.conf
/opt/intel/fc/9.1.043/lib
/opt/intel/mkl/9.1.023/lib/32
Then make vasp.4.lib successfully，But compiling vasp.4.6 errorneous. I edit in makefile:
BLAS=-L/opt/intel/mkl/9.1.023/lib/32 -lmkl_p4 -lguide -lpthread
LINK = -L/opt/intel/mkl/9.1.023/lib/32 -lsvml
FFT3D = fftw3d.o fft3dlib.o /usr/local/lib/libfftw3.a
Then it gave me error:many undefined reference...
compiling vasp-----undefined reference
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linglin
compiling vasp-----undefined reference
Last edited by linglin on Fri Jul 04, 2008 1:04 pm, edited 1 time in total.
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admin
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compiling vasp-----undefined reference
these error messages say that the requestes subroutines (most probably: routines of the BLAS and the FFT3D) are not found in the linked (version of the) BLAS and the libfftw3. please check
1) whether the given $PATH for the BLAS is correct
2) whether the required routines really are included in the linked libraries
3) please copy the files of the include subdirectory of the fftw3 to the vasp.4.6 directory and recompile
1) whether the given $PATH for the BLAS is correct
2) whether the required routines really are included in the linked libraries
3) please copy the files of the include subdirectory of the fftw3 to the vasp.4.6 directory and recompile
Last edited by admin on Fri Jul 04, 2008 1:39 pm, edited 1 time in total.