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.Version 8.0.3 of FFTPROF
.(MPI version, prepared for a x86_64_linux_gnu5.3 computer)
.Copyright (C) 1998-2025 ABINIT group .
FFTPROF comes with ABSOLUTELY NO WARRANTY.
It is free software, and you are welcome to redistribute it
under certain conditions (GNU General Public License,
see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
ABINIT is a project of the Universite Catholique de Louvain,
Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
Please read https://docs.abinit.org/theory/acknowledgments for suggested
acknowledgments of the ABINIT effort.
For more information, see https://www.abinit.org .
.Starting date : Mon 4 Apr 2016.
- ( at 11h39 )
Tool for profiling and testing the FFT libraries used in ABINIT.
Allowed options are:
fourdp --> Test FFT transforms of density and potentials on the full box.
fourwf --> Test FFT transforms of wavefunctions using the zero-pad algorithm.
gw_fft --> Test the FFT transforms used in the GW code.
all --> Test all FFT routines.
Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
R(1)= 20.0000000 0.0000000 0.0000000 G(1)= 0.0500000 0.0000000 0.0000000
R(2)= 0.0000000 20.0000000 0.0000000 G(2)= 0.0000000 0.0500000 0.0000000
R(3)= 0.0000000 0.0000000 20.0000000 G(3)= 0.0000000 0.0000000 0.0500000
Unit cell volume ucvol= 8.0000000E+03 bohr^3
Unit cell volume ucvol= 8.0000000E+03 bohr^3
Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 9.00000000E+01 degrees
Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 9.00000000E+01 degrees
==== FFT setup for fftalg 110 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 110
FFT cache size ............................ 16
==== FFT setup for fftalg 111 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 111
FFT cache size ............................ 16
==== FFT setup for fftalg 112 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 112
FFT cache size ............................ 16
==== FFT setup for fftalg 410 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 410
FFT cache size ............................ 16
==== FFT setup for fftalg 411 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 411
FFT cache size ............................ 16
==== FFT setup for fftalg 412 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 412
FFT cache size ............................ 16
==== FFT setup for fftalg 312 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 312
FFT cache size ............................ 16
==== FFT setup for fftalg 512 ====
FFT mesh divisions ........................ 100 100 100
Augmented FFT divisions ................... 101 101 100
FFT algorithm ............................. 512
FFT cache size ............................ 16
==============================================================
==== fourwf with option 0, cplex 0, ndat 1, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0289 0.0289 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0188 0.0188 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0183 0.0183 1 (100%) 5 5.78E-14 1.76E-15
- Goedecker2002 (410) 0.0554 0.0554 1 (100%) 5 6.02E-14 1.79E-15
- Goedecker2002 (411) 0.0273 0.0273 1 (100%) 5 6.02E-14 1.79E-15
- Goedecker2002 (412) 0.0247 0.0247 1 (100%) 5 6.02E-14 1.79E-15
- FFTW3 (312) 0.0140 0.0139 1 (100%) 5 9.46E-14 2.08E-15
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 9.46E-14, Max(<|Err|>) = 2.08E-15, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 1, cplex 1, ndat 1, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0294 0.0293 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0190 0.0189 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0171 0.0171 1 (100%) 5 1.82E-11 1.28E-14
- Goedecker2002 (410) 0.0538 0.0538 1 (100%) 5 2.18E-11 1.37E-14
- Goedecker2002 (411) 0.0316 0.0316 1 (100%) 5 2.18E-11 1.37E-14
- Goedecker2002 (412) 0.0202 0.0202 1 (100%) 5 2.18E-11 1.37E-14
- FFTW3 (312) 0.0133 0.0133 1 (100%) 5 2.55E-11 1.90E-14
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 2.55E-11, Max(<|Err|>) = 1.90E-14, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 2, cplex 1, ndat 1, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0542 0.0542 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0327 0.0327 1 (100%) 5 3.33E-16 1.66E-19
- Goedecker (112) 0.0286 0.0285 1 (100%) 5 1.67E-16 2.16E-19
- Goedecker2002 (410) 0.0903 0.0903 1 (100%) 5 1.69E-16 2.30E-19
- Goedecker2002 (411) 0.0416 0.0415 1 (100%) 5 1.69E-16 2.30E-19
- Goedecker2002 (412) 0.0345 0.0345 1 (100%) 5 1.69E-16 2.30E-19
- FFTW3 (312) 0.0229 0.0228 1 (100%) 5 3.41E-16 3.10E-19
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 3.41E-16, Max(<|Err|>) = 3.10E-19, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 3, cplex 0, ndat 1, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0240 0.0240 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0129 0.0129 1 (100%) 5 1.11E-16 5.28E-20
- Goedecker (112) 0.0130 0.0130 1 (100%) 5 1.11E-16 5.28E-20
- Goedecker2002 (410) 0.0369 0.0369 1 (100%) 5 1.12E-16 4.72E-20
- Goedecker2002 (411) 0.0158 0.0158 1 (100%) 5 1.12E-16 4.72E-20
- Goedecker2002 (412) 0.0159 0.0159 1 (100%) 5 1.12E-16 4.72E-20
- FFTW3 (312) 0.0115 0.0115 1 (100%) 5 1.24E-16 6.41E-20
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 1.24E-16, Max(<|Err|>) = 6.41E-20, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 2, cplex 2, ndat 1, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0568 0.0567 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0338 0.0338 1 (100%) 5 2.23E-16 1.92E-19
- Goedecker (112) 0.0294 0.0294 1 (100%) 5 2.24E-16 2.73E-19
- Goedecker2002 (410) 0.0912 0.0912 1 (100%) 5 2.27E-16 2.84E-19
- Goedecker2002 (411) 0.0441 0.0441 1 (100%) 5 2.27E-16 2.84E-19
- Goedecker2002 (412) 0.0352 0.0352 1 (100%) 5 2.27E-16 2.84E-19
- FFTW3 (312) 0.0243 0.0242 1 (100%) 5 4.52E-16 3.67E-19
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 4.52E-16, Max(<|Err|>) = 3.67E-19, reference_lib: Goedecker (110)
Analysis completed.
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