could you tell me which dir should be added to the LD_LIBRARY_PATH, or which flags should be added after the QE configure command?
thank you vega ================================================================================= Vega Lew (weijia liu) PH.D Candidate in Chemical Engineering State Key Laboratory of Materials-oriented Chemical Engineering College of Chemistry and Chemical Engineering Nanjing University of Technology, 210009, Nanjing, Jiangsu, China -------------------------------------------------- From: "Serge Nakhmanson" <[email protected]> Sent: Tuesday, September 30, 2008 7:48 AM To: "PWSCF Forum" <pw_forum at pwscf.org> Subject: [Pw_forum] Compiling with intel fortran, MKL and MKL FFT wrappers > 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 > ********************************************************* > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
