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.Version 9.3.1 of FFTPROF
.(MPI version, prepared for a x86_64_linux_gnu9.3 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 : Tue 10 Nov 2020.
- ( at 22h24 )
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)= 12.0000000 0.0000000 0.0000000 G(1)= 0.0833333 0.0000000 0.0000000
R(2)= 0.0000000 11.0000000 0.0000000 G(2)= 0.0000000 0.0909091 0.0000000
R(3)= 0.0000000 0.0000000 13.0000000 G(3)= 0.0000000 0.0000000 0.0769231
Unit cell volume ucvol= 1.7160000E+03 bohr^3
Unit cell volume ucvol= 1.7160000E+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 ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 110
FFT cache size ............................ 16
==== FFT setup for fftalg 111 ====
FFT mesh divisions ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 111
FFT cache size ............................ 16
==== FFT setup for fftalg 112 ====
FFT mesh divisions ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 112
FFT cache size ............................ 16
==== FFT setup for fftalg 410 ====
FFT mesh divisions ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 410
FFT cache size ............................ 16
==== FFT setup for fftalg 411 ====
FFT mesh divisions ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 411
FFT cache size ............................ 16
==== FFT setup for fftalg 412 ====
FFT mesh divisions ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 412
FFT cache size ............................ 16
==== FFT setup for fftalg 312 ====
FFT mesh divisions ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 312
FFT cache size ............................ 16
==== FFT setup for fftalg 512 ====
FFT mesh divisions ........................ 75 72 80
Augmented FFT divisions ................... 75 73 80
FFT algorithm ............................. 512
FFT cache size ............................ 16
==============================================================
==== fourwf with option 0, cplex 0, ndat 1, istwf_k 3 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0106 0.0107 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0067 0.0067 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) N/A N/A N/A N/A N/A N/A
- Goedecker2002 (410) 0.0220 0.0221 1 (100%) 5 3.48E-14 1.56E-15
- Goedecker2002 (411) 0.0075 0.0075 1 (100%) 5 3.48E-14 1.56E-15
- Goedecker2002 (412) N/A N/A N/A N/A N/A N/A
- FFTW3 (312) N/A N/A N/A N/A N/A N/A
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 3.48E-14, Max(<|Err|>) = 1.56E-15, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 1, cplex 1, ndat 1, istwf_k 3 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0107 0.0107 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0077 0.0077 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0040 0.0040 1 (100%) 5 1.82E-12 6.51E-15
- Goedecker2002 (410) 0.0241 0.0241 1 (100%) 5 1.36E-12 7.07E-15
- Goedecker2002 (411) 0.0084 0.0084 1 (100%) 5 1.36E-12 7.07E-15
- Goedecker2002 (412) 0.0078 0.0078 1 (100%) 5 1.36E-12 7.07E-15
- FFTW3 (312) 0.0038 0.0038 1 (100%) 5 1.59E-12 6.19E-15
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 1.82E-12, Max(<|Err|>) = 7.07E-15, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 2, cplex 1, ndat 1, istwf_k 3 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0219 0.0220 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0128 0.0129 1 (100%) 5 1.67E-16 4.76E-20
- Goedecker (112) 0.0066 0.0066 1 (100%) 5 1.56E-16 8.08E-20
- Goedecker2002 (410) 0.0358 0.0359 1 (100%) 5 3.37E-16 1.23E-19
- Goedecker2002 (411) 0.0142 0.0142 1 (100%) 5 2.75E-16 1.07E-19
- Goedecker2002 (412) 0.0136 0.0136 1 (100%) 5 2.75E-16 1.07E-19
- FFTW3 (312) 0.0056 0.0056 1 (100%) 5 2.51E-16 1.03E-19
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 3.37E-16, Max(<|Err|>) = 1.23E-19, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 3, cplex 0, ndat 1, istwf_k 3 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0091 0.0092 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0052 0.0052 1 (100%) 5 3.33E-16 3.80E-20
- Goedecker (112) 0.0051 0.0052 1 (100%) 5 3.33E-16 3.80E-20
- Goedecker2002 (410) 0.0141 0.0141 1 (100%) 5 3.61E-16 7.52E-20
- Goedecker2002 (411) N/A N/A N/A N/A N/A N/A
- Goedecker2002 (412) N/A N/A N/A N/A N/A N/A
- FFTW3 (312) 0.0048 0.0048 1 (100%) 5 2.22E-16 6.39E-20
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 3.61E-16, Max(<|Err|>) = 7.52E-20, reference_lib: Goedecker (110)
Analysis completed.
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