[Pw_forum] compilation problem with intel parallel studio 2017

[Stephen Weitzner]

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 <argamanu at post.bgu.ac.il> 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
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