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] http://pwscf.org/mailman/listinfo/pw_forum
