Uri, Check out this GitHub project put together by Hans Pabst, who is an Intel engineer I believe.
https://github.com/hfp/xconfigure It contains a set of shell scripts for building quantum espresso and ELPA with Intel compilers / Intel MPI leading to high parallel efficiency. Hope that helps. Best, Stephen -- Stephen Weitzner PhD Candidate Materials Science and Engineering Materials Research Institute The Pennsylvania State University Sent from my iPhone Sent from my iPhone > On Dec 16, 2016, at 9:12 AM, Uri Argaman <[email protected]> wrote: > > I compile QE with: > ./configure compiler=intel MPIF90=mpiifort FC=ifort F77=ifort F90=ifort > CXX=icpc CC=icc MKLROOT=/opt/intel/mkl LIBDIR=/opt/intel/mkl/ > and it still do not find MKL libraries: > > checking for dummy main to link with Fortran 77 libraries... none > checking for Fortran 77 name-mangling scheme... lower case, underscore, no > extra underscore > checking for library containing dgemm... no > MKL not found > in /opt/intel/composer*/mkl/lib/intel64: checking for library containing > dgemm... no > MKL not found > in /opt/intel/Compiler/*/*/mkl/lib/em64t: checking for library containing > dgemm... no > MKL not found > in /opt/intel/mkl/*/lib/em64t: checking for library containing dgemm... no > MKL not found > in /opt/intel/mkl*/lib/em64t: checking for library containing dgemm... no > MKL not found > in /opt/intel/mkl/lib: checking for library containing dgemm... no > MKL not found > in /opt/intel/impi/2017.1.132/intel64/lib: checking for library containing > dgemm... no > MKL not found > in /opt/intel/mkl/lib/intel64: checking for library containing dgemm... > -lmkl_intel_lp64 > setting BLAS_LIBS... -L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64 > -lmkl_sequential -lmkl_core > checking for library containing dspev... none required > checking FFT... in /opt/intel/mkl/lib/intel64: checking for > DftiComputeForward in -lmkl_intel_lp64... yes > checking /opt/intel/mkl/include/mkl_dfti.f90 usability... no > checking /opt/intel/mkl/include/mkl_dfti.f90 presence... yes > configure: WARNING: /opt/intel/mkl/include/mkl_dfti.f90: present but cannot > be compiled > configure: WARNING: /opt/intel/mkl/include/mkl_dfti.f90: check for > missing prerequisite headers? > configure: WARNING: /opt/intel/mkl/include/mkl_dfti.f90: see the Autoconf > documentation > configure: WARNING: /opt/intel/mkl/include/mkl_dfti.f90: section "Present > But Cannot Be Compiled" > configure: WARNING: /opt/intel/mkl/include/mkl_dfti.f90: proceeding with the > preprocessor's result > configure: WARNING: /opt/intel/mkl/include/mkl_dfti.f90: in the future, the > compiler will take precedence > checking for /opt/intel/mkl/include/mkl_dfti.f90... yes > > checking MASS... > checking for library containing mpi_init... none required > checking for library containing pdgemr2d... no > checking for library containing pdgemr2d... no > checking for library containing pdgemr2d... no > checking for library containing pdgemr2d... no > checking for library containing pdgemr2d... no > checking for library containing pdgemr2d... no > > How to solve it? > > Thank you very much > Uri Argaman > Ben-Gurion University > Israel > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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