[Pw_forum] problem with compilation the 5.4.0 version

Paolo Giannozzi p.giannozzi at gmail.com
Mon Sep 5 22:36:08 CEST 2016


Configure needs to know where to locate the files needed by the FFT
routines of the MKL library. In particular, MKLROOT should point to the
root directory where MKL libraries are stored.

Paolo

On Mon, Sep 5, 2016 at 3:26 PM, Uri Argaman <argamanu at post.bgu.ac.il> wrote:

> Dear QE users and developers
> I compile the 5.4.0 version with the following configure:
> configure LIBDIRS=/opt/intel/mkl/lib/intel64
> This is working for older versions. It is success. When I do make all I
> get:
>
>
> Warning: Nonexistent include directory "/include"
> In file included from fft_scalar.f90:27:0:
> fft_scalar.DFTI.f90:20:0: fatal error: mkl_dfti.f90: No such file or
> directory
>
> when I do the configure as:
> ./install/configure compiler=intel MPIF90=mpiifort FC=ifort F77=ifort
> F90=ifort CXX=icpc CC=icc
>
> I get the following error:
>
> /tmp/ifortZkzTF9.i90(5014): catastrophic error: Too many errors, exiting
> compilation aborted for fft_parallel.f90 (code 1)
> make[1]: *** [fft_parallel.o] Error 1
> make[1]: Leaving directory `/home/argaman/espresso-5.4.0/FFTXlib'
> make: *** [libfft] Error 1
>
> Thank you
> Uri Argaman
> Ben-Gurion University
> Israel
>
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>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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