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Re: [lammps-users] more undefined references to 'fftw_*" and ld returned 1 exit status when doing "make mpi" in /src
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Re: [lammps-users] more undefined references to 'fftw_*" and ld returned 1 exit status when doing "make mpi" in /src


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 31 Aug 2017 16:44:24 -0400



On Thu, Aug 31, 2017 at 4:08 PM, Tingyu Lu <tlu3@...1250...442...> wrote:
Hello lammps users,

I'm trying to compile lammps11-Aug17. When I do "make mpi" in /src, I got the error:
fft3d.o: In function `fft_3d':
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:117: undefined reference to `fftw_execute_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:156: undefined reference to `fftw_execute_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:195: undefined reference to `fftw_execute_dft'
fft3d.o: In function `fft_3d_destroy_plan':
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:676: undefined reference to `fftw_destroy_plan'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:677: undefined reference to `fftw_destroy_plan'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:678: undefined reference to `fftw_destroy_plan'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:679: undefined reference to `fftw_destroy_plan'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:680: undefined reference to `fftw_destroy_plan'
fft3d.o:/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:681: more undefined references to `fftw_destroy_plan' follow
fft3d.o: In function `fft_3d_create_plan':
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:570: undefined reference to `fftw_plan_many_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:575: undefined reference to `fftw_plan_many_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:580: undefined reference to `fftw_plan_many_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:585: undefined reference to `fftw_plan_many_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:590: undefined reference to `fftw_plan_many_dft'
fft3d.o:/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:595: more undefined references to `fftw_plan_many_dft' follow
fft3d.o: In function `fft_1d_only':
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:828: undefined reference to `fftw_execute_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:833: undefined reference to `fftw_execute_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:838: undefined reference to `fftw_execute_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:828: undefined reference to `fftw_execute_dft'
/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:833: undefined reference to `fftw_execute_dft'
fft3d.o:/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi/../fft3d.cpp:838: more undefined references to `fftw_execute_dft' follow
collect2: ld returned 1 exit status
make[1]: *** [../lmp_mpi] Error 1
make[1]: Leaving directory `/home/heat/lammps11-Aug17/lammps-11Aug17/src/Obj_mpi'
make: *** [mpi] Error 2

The version of my software is listed as below:
fftw-3.3.6-p12
mpich-3.0.1
lammps-11Aug17 

Could you please help me fix this error?

http://lammps.sandia.gov/doc/Section_start.html#step-6

​start by compiling LAMMPS *without* FFTW support (which is how Makefile.mpi ships by default).
the performance differences of LAMMPS due to the choice of FFT are quite small and are often irrelevant unless you run on extremely large machines and specific inputs.

axel.

 

Many thanks,
Tingyu

--
Best Regards,
Tingyu Lu
Mechanical and Aerospace Engineering 
911 Oval Dr. - 3404 EBIII
North Carolina State University
Raleigh, NC 27695

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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.