[Pw_forum] Compiling with intel fortran, MKL and MKL FFT wrappers

[Serge Nakhmanson]

Dear All,

Here's a question to those of you who succeeded doing the Subj.

Here's how MKL distribution looks like on my cluster:

serafina {1323} > pwd
/usr/local/intel/mkl/10.0.4.023/interfaces
serafina {1324} > ls
blas95  fftw2xc  fftw2x_cdft  fftw2xf  fftw3xc  fftw3xf  lapack95
serafina {1325} >

We (me and our sysadmin) compiled all versions of the MKL FFT
wrappers, but we assumed that the parallel one (fftw2x_cdft)
is the one to be used when compiling Espresso.

However, linking with that one produces a bunch of undefined
references in {espresso}/clib/fft_stick.c.

When, instead, we link with fftw2xc (which is serial), everything
compiles and works just fine.

My question is: is the latter (serial) library really the
one intended to be used with Espresso, or is it the parallel
one that should work but fails due to some function renaming
in the latest MKL version? Or is there something else that
could be wrong?

Just in case, here are a few informative lines from our make.sys:

DFLAGS         =  -D__INTEL -D__FFTW -D__MPI -D__PARA
IFLAGS         = -I../include -I/usr/local/intel/mkl/10.0.4.023/include/fftw
BLAS_LIBS      = -L/usr/local/intel/mkl/10.0.4.023/lib/em64t -lmkl_intel_lp64 
-lmkl_sequential -lmkl_core
LAPACK_LIBS    = -L/usr/local/intel/mkl/10.0.4.023/lib/em64t -lmkl_intel_lp64 
-lmkl_sequential -lmkl_core
#FFT_LIBS       = -L/usr/local/intel/mkl/10.0.4.023/lib/64 -lfftw2x_cdft_DOUBLE
FFT_LIBS       = -L/usr/local/intel/mkl/10.0.4.023/lib/64 -lfftw2xc_intel


THX,

Serge


-- 
*********************************************************
  Serge M. Nakhmanson               phone: (630) 252-5205
  Assistant Scientist                 fax: (630) 252-4798
  MSD-212, Rm. C-224
  Argonne National Laboratory
  9700 S. Cass Ave.
  Argonne, IL 60439
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