[Pw_forum] linking quantum espresso with ACML library

Jan Gryko gryko at jsu.edu
Tue Oct 29 21:29:23 CET 2013


 Several day ago I asked about linking Quantum Espresso with the ACML library.
 In fact this is very simple and all you need to do is to runs configure as:

  ./configure BLAS_LIBS="-L/opt/acml5.3.0/gfortran64_fma4/lib -lacml" \
              FFT_LIBS="-L/$HOME/FFTW3/lib -lfftw3  

  and other options, such as FC, CC, FCFLAGS.

 You do not need to add LAPACK_LIBS, as ACML will be used.
 BLAS_LIB_SWITCH and LAPACK_LIB_SWITCH will be set to external by the
 configure script.  

 Best regards,


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