[lammps-users] ERROR: Cannot use FFTs with FFT_NONE set &ERROR on proc 0: Could not create 3d FFT plan

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1

hi,
i am new to lammps
when i am compiling example file PEPTIDE in lammps
i am getting this error please can anyone help?
here i am posting what i git while running

LAMMPS (15 Jan 2010)
Scanning data file …
3 = max bonds/atom
6 = max angles/atom
14 = max dihedrals/atom
1 = max impropers/atom
Reading data file …
orthogonal box = (36.8402 41.0137 29.7681) to (64.2116 68.3851 57.1395)
1 by 1 by 1 processor grid
2004 atoms
2004 velocities
1365 bonds
786 angles
207 dihedrals
12 impropers
Finding 1-2 1-3 1-4 neighbors …
4 = max # of 1-2 neighbors
7 = max # of 1-3 neighbors
14 = max # of 1-4 neighbors
18 = max # of special neighbors
Finding SHAKE clusters …
19 = # of size 2 clusters
6 = # of size 3 clusters
3 = # of size 4 clusters
640 = # of frozen angles
84 atoms in group peptide
PPPM initialization …
G vector = 0.268721
grid = 15 15 15
stencil order = 5
RMS precision = 4.86052e-05
brick FFT buffer size/proc = 10648 3375 5808
ERROR: Cannot use FFTs with FFT_NONE set
ERROR on proc 0: Could not create 3d FFT plan

thanks
naresh

2

hi,
i am new to lammps
when i am compiling example file PEPTIDE in lammps
i am getting this error please can anyone help?

the peptide input uses kspace_style pppm which uses FFTs.
you have compiled lammps without fft support. that is why
you get the error and that is exactly what the error tells you.

you have to re-read the installation instructions and
re-compile your lammps binary (and you should upgrade
to a current version of lammps while you are at it).

cheers,
    axel.