[CP2K:4639] fftw3 error problem

Iain Bethune ibet... at epcc.ed.ac.uk
Fri Sep 27 09:39:31 CEST 2013


Hi Donato, you are still not linking CP2K with the fftw3_threads library.  Where you currently have in your LDFLAGS:

/home/SWcbbc/SOFTWARE/SYSTEM/fftw-3.3/GNU44-double/lib//libfftw3.a

You should also link to libfftw3_thread.a (or _omp.a) which should be in the same directory (if you built it with --enable-threads or --enable-openmp respectively).

Cheers

- Iain

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Iain Bethune
Project Manager, EPCC

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On 27 Sep 2013, at 07:30, Donato Pera wrote:

> Dear Iain,
> 
> using --enable-threads and --enable-openmp I get this result:
> 
> 
> make LDFLAGS= -C /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/tools -f /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/makefiles/Makefile makedepf90
> make[1]: Entering directory `/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/tools'
> make[1]: `makedepf90' is up to date.
> make[1]: Leaving directory `/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/tools'
> make -C /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/src -f /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/makefiles/Makefile all.dep
> make[1]: Entering directory `/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/src'
> make[1]: `/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/psmp/all.dep' is up to date.
> make[1]: Leaving directory `/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/src'
> cp /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/cuda_tools/LIBCUDA_DEPENDENCIES /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/psmp/libc_cuda.dep
> cp /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/machine/LIBMA_DEPENDENCIES /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/psmp/libc_ma.dep
> make -C /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/psmp -f /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/makefiles/Makefile _progr
> make[1]: Entering directory `/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/psmp'
> /home/SWcbbc/SOFTWARE/SYSTEM/openmpi-1.4.3/GNU44/bin/mpif90 -m64 -fopenmp -D__GFORTRAN  -D__FFTW3 -D__LIBINT -D__parallel -D__BLACS -D__SCALAPACK -I/home/SWcbbc/SOFTWARE/SYSTEM/fftw-3.3/GNU44-double/include/ -I/home/SWcbbc/SOFTWARE/SYSTEM/ACML-4-4-0/ACML/gfortran64_mp//include/ -ffree-form -O2 -msse2 -ffast-math -march=opteron -cpp -D__COMPILE_ARCH="\"Linux-x86-64-gfortran-ACML\"" -D__COMPILE_DATE="\"Fri Sep 27 08:25:43 CEST 2013\"" -D__COMPILE_HOST="\"caliban.dm.univaq.it\"" -D__COMPILE_REVISION="\"svn:13039\"" -o /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/exe/Linux-x86-64-gfortran-ACML/cp2k.psmp cp2k.o /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/lib/Linux-x86-64-gfortran-ACML/psmp/libcp2k_lib.a /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/lib/Linux-x86-64-gfortran-ACML/psmp/libcp2k_dbcsr_lib.a /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/lib/Linux-x86-64-gfortran-ACML/psmp/libcp2k_fft_lib.a /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/lib/Linux-x86-64-gfortran-ACML/psmp/libcp2k_base_lib.a /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/lib/Linux-x86-64-gfortran-ACML/psmp/libcp2k_ma_lib.a /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/lib/Linux-x86-64-gfortran-ACML/psmp/libcp2k_elpa_lib.a    /home/SWcbbc/SOFTWARE/SYSTEM/scalapack-1.8.0/libscalapack_mp_ib.a /home/SWcbbc/SOFTWARE/SYSTEM/BLACS/LIB_MP/blacsF77init_MPI-LINUX-0.a /home/SWcbbc/SOFTWARE/SYSTEM/BLACS/LIB_MP/blacs_MPI-LINUX-0.a /home/SWcbbc/SOFTWARE/SYSTEM/BLACS/LIB_MP/blacsF77init_MPI-LINUX-0.a  /home/SWcbbc/SOFTWARE/SYSTEM/ACML-4-4-0/ACML/gfortran64_mp//lib/libacml_mp.a /home/SWcbbc/SOFTWARE/SYSTEM/fftw-3.3/GNU44-double/lib//libfftw3.a /home/SWcbbc/SOFTWARE/SYSTEM/libint/GNU44/lib//libderiv.a /home/SWcbbc/SOFTWARE/SYSTEM/libint/GNU44/lib//libint.a -lstdc++
> /home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/lib/Linux-x86-64-gfortran-ACML/psmp/libcp2k_fft_lib.a(fftw3_lib.o): In function `fftw3_create_plan_3d_':
> fftw3_lib.F:(.text+0x10de): undefined reference to `dfftw_plan_with_nthreads_'
> collect2: ld returned 1 exit status
> make[1]: *** [/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/exe/Linux-x86-64-gfortran-ACML/cp2k.psmp] Error 1
> make[1]: Leaving directory `/home/SWcbbc/SOFTWARE/CP2K_RELEASE/cp2k-2.4_trunk/cp2k/obj/Linux-x86-64-gfortran-ACML/psmp'
> make: *** [build] Error 2
> 
> 
> Thanks Donato
> 
> 
> 
> On Thursday, September 26, 2013 4:47:37 PM UTC+2, IBethune wrote:
> Dear Donato, 
> 
> You need to link with the libfftw3_threads or libfftw3_omp library if you are using threads with FFTW.  This may not be installed by default as you need to build FFTW with the --enable-threads or --enable-openmp option. 
> 
> Cheers 
> 
> - Iain 
> 
> -- 
> 
> Iain Bethune 
> Project Manager, EPCC 
> 
> Email: ibe... at epcc.ed.ac.uk 
> Twitter: @IainBethune 
> Web: http://www2.epcc.ed.ac.uk/~ibethune 
> Tel/Fax: +44 (0)131 650 5201/6555 
> Mob: +44 (0)7598317015 
> Addr: 2404 JCMB, The King's Buildings, Mayfield Road, Edinburgh, EH9 3JZ 
> 
> 
> 
> 
> 
> 
> 
> 
> On 26 Sep 2013, at 15:44, Donato Pera wrote: 
> 
> > Dear all, 
> > 
> > I'm trying to install cp2k but when I run the make file 
> > I have this error: 
> > 
> > 
> > fftw3_lib.F:(.text+0x10de): undefined reference to 
> > `dfftw_plan_with_nthreads_' 
> > 
> > 
> > Thanks Donato 
> > 
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