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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 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
====================================================
==== fftbox with isign -1, in-place 0, ndat 4 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.3288 0.3290 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.3813 0.2332 2 ( 71%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4697 0.2066 3 ( 53%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4833 0.2416 4 ( 34%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.3104 0.3104 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.3817 0.2286 2 ( 68%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.4759 0.2498 3 ( 41%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.4935 0.2494 4 ( 31%) 5 0.00E+00 0.00E+00
- 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
====================================================
==== fftbox with isign -1, in-place 1, ndat 4 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.3787 0.3802 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4289 0.2690 2 ( 71%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4615 0.2016 3 ( 63%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4665 0.2334 4 ( 41%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.3589 0.3596 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.3649 0.2218 2 ( 81%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.4735 0.2524 3 ( 47%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.5089 0.2654 4 ( 34%) 5 0.00E+00 0.00E+00
- 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
====================================================
==== fftbox with isign 1, in-place 0, ndat 4 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.3455 0.3456 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4001 0.2338 2 ( 74%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4657 0.2036 3 ( 57%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4997 0.2470 4 ( 35%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.3339 0.3344 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.4137 0.2668 2 ( 63%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.4515 0.2080 3 ( 54%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.4921 0.2452 4 ( 34%) 5 0.00E+00 0.00E+00
- 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
====================================================
==== fftbox with isign 1, in-place 1, ndat 4 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.3417 0.3428 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4113 0.2628 2 ( 65%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4729 0.2180 3 ( 52%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4921 0.2450 4 ( 35%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.3110 0.3110 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.3903 0.2390 2 ( 65%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.4835 0.2170 3 ( 48%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.5031 0.2482 4 ( 31%) 5 0.00E+00 0.00E+00
- 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
=====================================
==== fftu with isign -1, ndat 4 ====
=====================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.1186 0.1186 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1436 0.0878 2 ( 68%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1530 0.0700 3 ( 56%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.3206 0.1370 4 ( 22%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 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
- Goedecker2002 (412) 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) 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
=====================================
==== fftu with isign 1, ndat 4 ====
=====================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.1424 0.1424 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1740 0.1066 2 ( 67%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1874 0.0896 3 ( 53%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.3655 0.1566 4 ( 23%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 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
- Goedecker2002 (412) 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) 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
=============================================================
==== rho_tw_g with use_padfft 0, map2sphere 1, ndat 4 ====
=============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.5163 0.5164 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.5803 0.3892 2 ( 66%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.7319 0.3936 3 ( 44%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.7801 0.4136 4 ( 31%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.5141 0.5146 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.5885 0.3974 2 ( 65%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.7101 0.3624 3 ( 47%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.8291 0.4522 4 ( 28%) 5 0.00E+00 0.00E+00
- 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
=============================================================
==== rho_tw_g with use_padfft 1, map2sphere 1, ndat 4 ====
=============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.2762 0.2762 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.4647 0.2844 2 ( 49%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.5537 0.2792 3 ( 33%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.6073 0.2842 4 ( 24%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 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
- Goedecker2002 (412) 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) 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|) = 0.00E+00, Max(<|Err|>) = 0.00E+00, reference_lib: Goedecker (112)
Analysis completed.
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