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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)= 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 2 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0274 0.0274 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0183 0.0183 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0091 0.0091 1 (100%) 5 7.27E-14 1.97E-15
- Goedecker2002 (410) 0.0551 0.0553 1 (100%) 5 6.02E-14 1.79E-15
- Goedecker2002 (411) 0.0135 0.0135 1 (100%) 5 6.71E-14 1.97E-15
- Goedecker2002 (412) 0.0140 0.0140 1 (100%) 5 6.71E-14 1.97E-15
- FFTW3 (312) 0.0085 0.0085 1 (100%) 5 9.25E-14 2.04E-15
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 9.25E-14, Max(<|Err|>) = 2.04E-15, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 1, cplex 1, ndat 1, istwf_k 2 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0256 0.0257 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0170 0.0170 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0083 0.0083 1 (100%) 5 2.18E-11 1.62E-14
- Goedecker2002 (410) 0.0546 0.0547 1 (100%) 5 2.18E-11 1.37E-14
- Goedecker2002 (411) 0.0175 0.0176 1 (100%) 5 1.82E-11 1.61E-14
- Goedecker2002 (412) 0.0108 0.0108 1 (100%) 5 1.82E-11 1.61E-14
- FFTW3 (312) 0.0071 0.0071 1 (100%) 5 2.18E-11 1.85E-14
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 2.18E-11, Max(<|Err|>) = 1.85E-14, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 2, cplex 1, ndat 1, istwf_k 2 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0544 0.0546 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0352 0.0353 1 (100%) 5 3.33E-16 8.24E-20
- Goedecker (112) 0.0149 0.0150 1 (100%) 5 2.44E-16 1.16E-19
- Goedecker2002 (410) 0.0950 0.0953 1 (100%) 5 1.69E-16 1.15E-19
- Goedecker2002 (411) 0.0265 0.0266 1 (100%) 5 2.44E-16 1.21E-19
- Goedecker2002 (412) 0.0190 0.0191 1 (100%) 5 2.44E-16 1.21E-19
- FFTW3 (312) 0.0114 0.0114 1 (100%) 5 3.33E-16 1.50E-19
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 3.33E-16, Max(<|Err|>) = 1.50E-19, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 3, cplex 0, ndat 1, istwf_k 2 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.0237 0.0238 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (111) 0.0146 0.0147 1 (100%) 5 1.11E-16 2.63E-20
- Goedecker (112) 0.0131 0.0132 1 (100%) 5 1.11E-16 2.63E-20
- Goedecker2002 (410) 0.0392 0.0393 1 (100%) 5 1.11E-16 2.36E-20
- Goedecker2002 (411) 0.0127 0.0127 1 (100%) 5 1.11E-16 2.49E-20
- Goedecker2002 (412) 0.0105 0.0105 1 (100%) 5 1.11E-16 2.49E-20
- FFTW3 (312) 0.0122 0.0122 1 (100%) 5 2.22E-16 3.58E-20
- DFTI (512) N/A N/A N/A N/A N/A N/A
Consistency check: MAX(Max_|Err|) = 2.22E-16, Max(<|Err|>) = 3.58E-20, reference_lib: Goedecker (110)
Analysis completed.
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