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 > <[email protected] <mailto:[email protected]>> > 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 > _______________________________________________ > Pw_forum mailing list > [email protected] <mailto:[email protected]> > http://pwscf.org/mailman/listinfo/pw_forum > > > > > -- > 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> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
