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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 22h46 )
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 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 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 4, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.4219 0.4225 1 (100%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.5609 0.3280 2 ( 64%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.6444 0.2900 3 ( 49%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.6754 0.3080 4 ( 34%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.3294 0.3295 1 (100%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.4119 0.2910 2 ( 57%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.4844 0.2595 3 ( 42%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.5754 0.3190 4 ( 26%) 2 0.00E+00 0.00E+00
- Goedecker (112) 0.1455 0.1455 1 (100%) 2 5.86E-14 1.94E-15
- Goedecker (112) 0.1870 0.1020 2 ( 71%) 2 5.86E-14 1.94E-15
- Goedecker (112) 0.2095 0.0850 3 ( 57%) 2 5.86E-14 1.94E-15
- Goedecker (112) 0.4104 0.1710 4 ( 21%) 2 5.86E-14 1.94E-15
- Goedecker2002 (411) 0.1295 0.1295 1 (100%) 2 6.08E-14 1.96E-15
- Goedecker2002 (411) 0.1430 0.1380 2 ( 47%) 2 6.08E-14 1.96E-15
- Goedecker2002 (411) 0.1455 0.1375 3 ( 31%) 2 6.08E-14 1.96E-15
- Goedecker2002 (411) 0.1575 0.1455 4 ( 22%) 2 6.08E-14 1.96E-15
- Goedecker2002 (412) 0.1385 0.1385 1 (100%) 2 6.08E-14 1.96E-15
- Goedecker2002 (412) 0.1470 0.1415 2 ( 49%) 2 6.08E-14 1.96E-15
- Goedecker2002 (412) 0.1440 0.1375 3 ( 34%) 2 6.08E-14 1.96E-15
- Goedecker2002 (412) 0.1585 0.1495 4 ( 23%) 2 6.08E-14 1.96E-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
- DFTI (512) 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
- DFTI (512) 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|) = 6.08E-14, Max(<|Err|>) = 1.96E-15, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 1, cplex 1, ndat 4, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.3594 0.3595 1 (100%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.5564 0.2940 2 ( 61%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.6809 0.2655 3 ( 45%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.6569 0.2625 4 ( 34%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.2740 0.2740 1 (100%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.3899 0.2435 2 ( 56%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.4669 0.2095 3 ( 44%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.5574 0.2605 4 ( 26%) 2 0.00E+00 0.00E+00
- Goedecker (112) 0.1265 0.1265 1 (100%) 2 8.73E-11 1.42E-14
- Goedecker (112) 0.1480 0.0770 2 ( 82%) 2 8.73E-11 1.42E-14
- Goedecker (112) 0.1640 0.0570 3 ( 74%) 2 8.73E-11 1.42E-14
- Goedecker (112) 0.3709 0.1460 4 ( 22%) 2 8.73E-11 1.42E-14
- Goedecker2002 (411) 0.1560 0.1570 1 (100%) 2 8.73E-11 1.44E-14
- Goedecker2002 (411) 0.1550 0.1505 2 ( 52%) 2 8.73E-11 1.44E-14
- Goedecker2002 (411) 0.1545 0.1450 3 ( 36%) 2 8.73E-11 1.44E-14
- Goedecker2002 (411) 0.1650 0.1540 4 ( 25%) 2 8.73E-11 1.44E-14
- Goedecker2002 (412) 0.1205 0.1210 1 (100%) 2 8.73E-11 1.44E-14
- Goedecker2002 (412) 0.1250 0.1195 2 ( 51%) 2 8.73E-11 1.44E-14
- Goedecker2002 (412) 0.1270 0.1175 3 ( 34%) 2 8.73E-11 1.44E-14
- Goedecker2002 (412) 0.1320 0.1210 4 ( 25%) 2 8.73E-11 1.44E-14
- 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
- DFTI (512) 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
- DFTI (512) 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|) = 8.73E-11, Max(<|Err|>) = 1.44E-14, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 2, cplex 1, ndat 4, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.6659 0.6660 1 (100%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.8979 0.5000 2 ( 67%) 2 0.00E+00 0.00E+00
- Goedecker (110) 1.1898 0.4390 3 ( 51%) 2 0.00E+00 0.00E+00
- Goedecker (110) 1.3283 0.5105 4 ( 33%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.5559 0.5580 1 (100%) 2 2.22E-16 1.86E-19
- Goedecker (111) 0.7049 0.4395 2 ( 63%) 2 2.22E-16 1.86E-19
- Goedecker (111) 0.8464 0.3725 3 ( 50%) 2 2.22E-16 1.86E-19
- Goedecker (111) 1.0138 0.4490 4 ( 31%) 2 2.22E-16 1.86E-19
- Goedecker (112) 0.1955 0.1960 1 (100%) 2 2.23E-16 2.39E-19
- Goedecker (112) 0.2500 0.1280 2 ( 77%) 2 2.23E-16 2.39E-19
- Goedecker (112) 0.2640 0.0890 3 ( 73%) 2 2.23E-16 2.39E-19
- Goedecker (112) 0.5484 0.2030 4 ( 24%) 2 2.23E-16 2.39E-19
- Goedecker2002 (411) 0.2505 0.2500 1 (100%) 2 3.33E-16 2.53E-19
- Goedecker2002 (411) 0.2610 0.2520 2 ( 50%) 2 3.33E-16 2.53E-19
- Goedecker2002 (411) 0.2695 0.2535 3 ( 33%) 2 3.33E-16 2.53E-19
- Goedecker2002 (411) 0.2835 0.2615 4 ( 24%) 2 3.33E-16 2.53E-19
- Goedecker2002 (412) 0.1880 0.1885 1 (100%) 2 3.33E-16 2.53E-19
- Goedecker2002 (412) 0.1985 0.1895 2 ( 50%) 2 3.33E-16 2.53E-19
- Goedecker2002 (412) 0.2140 0.2010 3 ( 31%) 2 3.33E-16 2.53E-19
- Goedecker2002 (412) 0.2230 0.2050 4 ( 23%) 2 3.33E-16 2.53E-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
- DFTI (512) 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
- DFTI (512) 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|) = 3.33E-16, Max(<|Err|>) = 2.53E-19, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 3, cplex 0, ndat 4, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.2875 0.2875 1 (100%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.4739 0.2375 2 ( 61%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.5324 0.1835 3 ( 52%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.5909 0.2240 4 ( 32%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.2275 0.2275 1 (100%) 2 1.12E-16 6.12E-20
- Goedecker (111) 0.3549 0.1940 2 ( 59%) 2 1.12E-16 6.12E-20
- Goedecker (111) 0.4204 0.1625 3 ( 47%) 2 1.12E-16 6.12E-20
- Goedecker (111) 0.4739 0.1895 4 ( 30%) 2 1.12E-16 6.12E-20
- Goedecker (112) 0.2100 0.2095 1 (100%) 2 1.12E-16 6.12E-20
- Goedecker (112) 0.2455 0.1330 2 ( 79%) 2 1.12E-16 6.12E-20
- Goedecker (112) 0.3509 0.1660 3 ( 42%) 2 1.12E-16 6.12E-20
- Goedecker (112) 0.4309 0.1735 4 ( 30%) 2 1.12E-16 6.12E-20
- Goedecker2002 (411) 0.0920 0.0925 1 (100%) 2 2.22E-16 5.34E-20
- Goedecker2002 (411) 0.0955 0.0925 2 ( 50%) 2 2.22E-16 5.34E-20
- Goedecker2002 (411) 0.0965 0.0905 3 ( 34%) 2 2.22E-16 5.34E-20
- Goedecker2002 (411) 0.1010 0.0920 4 ( 25%) 2 2.22E-16 5.34E-20
- Goedecker2002 (412) 0.0915 0.0915 1 (100%) 2 2.22E-16 5.34E-20
- Goedecker2002 (412) 0.0940 0.0910 2 ( 50%) 2 2.22E-16 5.34E-20
- Goedecker2002 (412) 0.0965 0.0910 3 ( 34%) 2 2.22E-16 5.34E-20
- Goedecker2002 (412) 0.1010 0.0925 4 ( 25%) 2 2.22E-16 5.34E-20
- 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
- DFTI (512) 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
- DFTI (512) 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|) = 2.22E-16, Max(<|Err|>) = 6.12E-20, reference_lib: Goedecker (110)
==============================================================
==== fourwf with option 2, cplex 2, ndat 4, istwf_k 1 ====
==============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (110) 0.6224 0.6225 1 (100%) 2 0.00E+00 0.00E+00
- Goedecker (110) 0.8679 0.4575 2 ( 68%) 2 0.00E+00 0.00E+00
- Goedecker (110) 1.0588 0.4380 3 ( 47%) 2 0.00E+00 0.00E+00
- Goedecker (110) 1.1868 0.4730 4 ( 33%) 2 0.00E+00 0.00E+00
- Goedecker (111) 0.4489 0.4495 1 (100%) 2 3.33E-16 2.19E-19
- Goedecker (111) 0.5714 0.3285 2 ( 68%) 2 3.33E-16 2.19E-19
- Goedecker (111) 0.7504 0.3450 3 ( 43%) 2 3.33E-16 2.19E-19
- Goedecker (111) 0.9034 0.4050 4 ( 28%) 2 3.33E-16 2.19E-19
- Goedecker (112) 0.2190 0.2190 1 (100%) 2 3.33E-16 3.05E-19
- Goedecker (112) 0.2145 0.1080 2 (101%) 2 3.33E-16 3.05E-19
- Goedecker (112) 0.2890 0.1170 3 ( 62%) 2 3.33E-16 3.05E-19
- Goedecker (112) 0.4874 0.1790 4 ( 31%) 2 3.33E-16 3.05E-19
- Goedecker2002 (411) 0.2610 0.2610 1 (100%) 2 3.34E-16 3.19E-19
- Goedecker2002 (411) 0.2435 0.2350 2 ( 56%) 2 3.34E-16 3.19E-19
- Goedecker2002 (411) 0.2810 0.2655 3 ( 33%) 2 3.34E-16 3.19E-19
- Goedecker2002 (411) 0.2580 0.2385 4 ( 27%) 2 3.34E-16 3.19E-19
- Goedecker2002 (412) 0.1960 0.1960 1 (100%) 2 3.34E-16 3.19E-19
- Goedecker2002 (412) 0.2115 0.2030 2 ( 48%) 2 3.34E-16 3.19E-19
- Goedecker2002 (412) 0.2120 0.1980 3 ( 33%) 2 3.34E-16 3.19E-19
- Goedecker2002 (412) 0.2240 0.2045 4 ( 24%) 2 3.34E-16 3.19E-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
- DFTI (512) 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
- DFTI (512) 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|) = 3.34E-16, Max(<|Err|>) = 3.19E-19, reference_lib: Goedecker (110)
Analysis completed.
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