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.Version 8.0.3 of FFTPROF
.(sequential version, prepared for a x86_64_linux_gnu4.6 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 22h45 )
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.
==== OpenMP parallelism is ON ====
- Max_threads: 2
- Num_threads: 2
- Num_procs: 4
- Dynamic: F
- Nested: F
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 112 ====
FFT mesh divisions ........................ 90 90 90
Augmented FFT divisions ................... 91 91 90
FFT algorithm ............................. 112
FFT cache size ............................ 16
==== FFT setup for fftalg 102 ====
FFT mesh divisions ........................ 90 90 90
Augmented FFT divisions ................... 91 91 90
FFT algorithm ............................. 102
FFT cache size ............................ 16
==== FFT setup for fftalg 412 ====
FFT mesh divisions ........................ 90 90 90
Augmented FFT divisions ................... 91 91 90
FFT algorithm ............................. 412
FFT cache size ............................ 16
==== FFT setup for fftalg 312 ====
FFT mesh divisions ........................ 90 90 90
Augmented FFT divisions ................... 91 91 90
FFT algorithm ............................. 312
FFT cache size ............................ 16
================================================
==== fourdp with cplex 1, isign -1, ndat 1 ====
================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0446 0.0446 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0542 0.0280 2 ( 80%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0670 0.0324 3 ( 46%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0758 0.0374 4 ( 30%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.0976 0.0976 1 (100%) 5 4.71E-16 1.65E-19
- Goedecker (102) 0.1360 0.0764 2 ( 64%) 5 4.71E-16 1.65E-19
- Goedecker (102) 0.1470 0.0700 3 ( 46%) 5 4.71E-16 1.65E-19
- Goedecker (102) 0.1568 0.0682 4 ( 36%) 5 4.71E-16 1.65E-19
- Goedecker2002 (412) 0.0422 0.0422 1 (100%) 5 1.76E-16 1.63E-19
- Goedecker2002 (412) 0.0416 0.0418 2 ( 50%) 5 1.76E-16 1.63E-19
- Goedecker2002 (412) 0.0414 0.0414 3 ( 34%) 5 1.76E-16 1.63E-19
- Goedecker2002 (412) 0.0398 0.0398 4 ( 27%) 5 1.76E-16 1.63E-19
- FFTW3 (312) 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
- FFTW3 (312) 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
Consistency check: MAX(Max_|Err|) = 4.71E-16, Max(<|Err|>) = 1.65E-19, reference_lib: Goedecker (112)
================================================
==== fourdp with cplex 2, isign -1, ndat 1 ====
================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0794 0.0796 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1096 0.0590 2 ( 67%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1418 0.0492 3 ( 54%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1614 0.0656 4 ( 30%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.0916 0.0918 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.1134 0.0628 2 ( 73%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.1468 0.0584 3 ( 52%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.1658 0.0762 4 ( 30%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.0692 0.0692 1 (100%) 5 6.59E-16 1.89E-19
- Goedecker2002 (412) 0.0658 0.0658 2 ( 53%) 5 6.59E-16 1.89E-19
- Goedecker2002 (412) 0.0872 0.0872 3 ( 26%) 5 6.59E-16 1.89E-19
- Goedecker2002 (412) 0.0876 0.0894 4 ( 19%) 5 6.59E-16 1.89E-19
- FFTW3 (312) 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
- FFTW3 (312) 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
Consistency check: MAX(Max_|Err|) = 6.59E-16, Max(<|Err|>) = 1.89E-19, reference_lib: Goedecker (112)
================================================
==== fourdp with cplex 1, isign 1, ndat 1 ====
================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0374 0.0374 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0456 0.0262 2 ( 71%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0562 0.0326 3 ( 38%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0668 0.0322 4 ( 29%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.0794 0.0794 1 (100%) 5 1.71E-13 2.54E-15
- Goedecker (102) 0.1068 0.0574 2 ( 69%) 5 1.71E-13 2.54E-15
- Goedecker (102) 0.1376 0.0472 3 ( 56%) 5 1.71E-13 2.54E-15
- Goedecker (102) 0.1606 0.0660 4 ( 30%) 5 1.71E-13 2.54E-15
- Goedecker2002 (412) 0.0362 0.0362 1 (100%) 5 1.71E-13 2.80E-15
- Goedecker2002 (412) 0.0364 0.0364 2 ( 50%) 5 1.71E-13 2.80E-15
- Goedecker2002 (412) 0.0418 0.0418 3 ( 29%) 5 1.71E-13 2.80E-15
- Goedecker2002 (412) 0.0420 0.0422 4 ( 21%) 5 1.71E-13 2.80E-15
- FFTW3 (312) 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
- FFTW3 (312) 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
Consistency check: MAX(Max_|Err|) = 1.71E-13, Max(<|Err|>) = 2.80E-15, reference_lib: Goedecker (112)
================================================
==== fourdp with cplex 2, isign 1, ndat 1 ====
================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.1060 0.1062 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1234 0.0730 2 ( 73%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1438 0.0646 3 ( 55%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1632 0.0752 4 ( 35%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.0968 0.0968 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.1202 0.0656 2 ( 74%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.1348 0.0474 3 ( 68%) 5 0.00E+00 0.00E+00
- Goedecker (102) 0.1556 0.0584 4 ( 41%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.0790 0.0792 1 (100%) 5 1.96E-13 3.18E-15
- Goedecker2002 (412) 0.0846 0.0848 2 ( 47%) 5 1.96E-13 3.18E-15
- Goedecker2002 (412) 0.0838 0.0840 3 ( 31%) 5 1.96E-13 3.18E-15
- Goedecker2002 (412) 0.0818 0.0820 4 ( 24%) 5 1.96E-13 3.18E-15
- FFTW3 (312) 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
- FFTW3 (312) 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
Consistency check: MAX(Max_|Err|) = 1.96E-13, Max(<|Err|>) = 3.18E-15, reference_lib: Goedecker (112)
Analysis completed.
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