problems with libfftw3
Posted: Thu Jun 15, 2006 9:18 pm
Hi, my serial vasp is running ok until I tried to compile it with using libfftw3.a instead of the fft libriary that comes with vasp itself. (libfftw3.a is said to be faster, right?)
the only thing I changed is comkment the following first line and uncomment the second line. And I have checked that the path for libfftw3.a i scrooect.
#FFT3D = fft3dfurth.o fft3dlib.o
FFT3D = fftw3d.o fft3dlib.o /usr/local/lib/libfftw3.a
I got no error complaints during compiling. However, the calculation will soon die. The lines from the screen is as follows:
vasp.4.6.26 15Dec04 complex
POSCAR found : 2 types and 34 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... 12
Segmentation fault
Is this the problem of handling memory? My vasp version is 4.6.26. Anyone can help me out? Thanks a lot.
the only thing I changed is comkment the following first line and uncomment the second line. And I have checked that the path for libfftw3.a i scrooect.
#FFT3D = fft3dfurth.o fft3dlib.o
FFT3D = fftw3d.o fft3dlib.o /usr/local/lib/libfftw3.a
I got no error complaints during compiling. However, the calculation will soon die. The lines from the screen is as follows:
vasp.4.6.26 15Dec04 complex
POSCAR found : 2 types and 34 ions
LDA part: xc-table for Ceperly-Alder, standard interpolation
POSCAR, INCAR and KPOINTS ok, starting setup
FFT: planning ... 12
Segmentation fault
Is this the problem of handling memory? My vasp version is 4.6.26. Anyone can help me out? Thanks a lot.