[Pw_forum] Error during linking pw.x with fftw3 (conflict with native fftw?)

Reinaldo Pis Diez reinaldo.pisdiez at gmail.com
Thu Dec 17 13:27:09 CET 2015


Dear Paolo,

Thanks for the hint. The fix you pointed out is correct, it works.

However, I've got another error when compiling pw.x related to the 
function esm_cft.f90. Taking advantage of your post, I've looked at 
the qe-forge page and found a fix (11758) to the above function at 
http://www.qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%2Ftags%2FQE-5.2.1%2Fespresso%2FPW%2Fsrc%2Fesm_cft.f90&view=log.

Now, I could compile and link pw.x using both ATLAS and FFTW3.

Thanks again,

Reinaldo

On 12/16/2015 05:13 PM, Paolo Giannozzi wrote:
> Thank you for reporting this. I think it was fixed a few days ago 
> in rev. 11881:
> http://www.qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%2Ftrunk%2Fespresso%2FFFTXlib%2Ffftw.h&sortby=rev&view=log
>
> Paolo
>
> On Wed, Dec 16, 2015 at 7:17 PM, Reinaldo Pis Diez 
> <reinaldo.pisdiez at gmail.com <mailto:reinaldo.pisdiez at gmail.com>> 
> wrote:
>
>     Dear folks,
>
>     I'm a new QE user. I've searched the forum archives for similar
>     problems but I was unable to find something useful to me.
>
>     I'm compiling QE 5.2.1 in a linux cluster running CentOS 6.6 (gcc
>     and gfortran 4.4.7). I've already installed openmpi 1.6.5 and
>     ATLAS
>     3.8.2 with full Lapack 3.6.0. To improve performance, I've also
>     installed fftw 3.3.4.
>
>     After a successful configure command with explicit BLAS_LIBS,
>     LAPACK_LIBS and FFT_LIBS, compilation seems to be ok, too, but at
>     linking time to create pw.x I got the message
>
>     usr/local/lib/libfftw3.a(apiplan.o): In function
>     `fftw_destroy_plan':
>     apiplan.c:(.text+0x0): multiple definition of `fftw_destroy_plan'
>     ../../clib/clib.a(fft_stick.o):fft_stick.c:(.text+0x2ab20): first
>     defined here
>
>     and ld stop with error. The same error is obtained both using
>     ATLAS
>     or the native BLAS/LAPACK provided with the package (without
>     passing
>     BLAS_LIBS and LAPACK_LIBS to configure), thus it seems that it is
>     not related to the functions doing linear algebra.
>
>     It seems to me that the native fftw library provided with QE is in
>     conflict with the fftw3 library as ld is using both
>     /usr/local/lib/libfftw3.a and ../../clib/clib.a as can be seen
>     above.
>
>     I must say that if I compile without fftw3, all is ok, even the
>     linking process.
>
>     Any ideas? Thanks in advance,
>
>     Reinaldo
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>
>
>
> -- 
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216 <tel:%2B39-0432-558216>, fax +39-0432-558222 
> <tel:%2B39-0432-558222>
>
>
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