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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 22h44 )
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 1 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0864 0.0864 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0948 0.0556 2 ( 78%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1290 0.0594 3 ( 48%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1238 0.0640 4 ( 34%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.0872 0.0874 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1076 0.0726 2 ( 60%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1246 0.0678 3 ( 43%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1390 0.0788 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)
====================================================
==== fftbox with isign -1, in-place 1, ndat 1 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.1044 0.1046 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1066 0.0662 2 ( 79%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1282 0.0700 3 ( 50%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1310 0.0688 4 ( 38%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1040 0.1042 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1068 0.0712 2 ( 73%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1342 0.0738 3 ( 47%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1406 0.0732 4 ( 36%) 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 1 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0978 0.0978 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1150 0.0772 2 ( 63%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1254 0.0726 3 ( 45%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1280 0.0646 4 ( 38%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1058 0.1066 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1080 0.0724 2 ( 74%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1190 0.0616 3 ( 58%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1116 0.0520 4 ( 51%) 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 1 ====
====================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0664 0.0664 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0978 0.0612 2 ( 54%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1054 0.0528 3 ( 42%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1200 0.0600 4 ( 28%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.0862 0.0862 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1106 0.0826 2 ( 52%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1314 0.0738 3 ( 39%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1320 0.0674 4 ( 32%) 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 1 ====
=====================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0340 0.0340 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0432 0.0308 2 ( 55%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0516 0.0312 3 ( 36%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0712 0.0330 4 ( 26%) 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 1 ====
=====================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0416 0.0416 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0448 0.0288 2 ( 72%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0598 0.0348 3 ( 40%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0890 0.0532 4 ( 20%) 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 1 ====
=============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.1384 0.1384 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1500 0.1154 2 ( 60%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1670 0.1142 3 ( 40%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1716 0.1136 4 ( 30%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1302 0.1302 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1524 0.1166 2 ( 56%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1622 0.1044 3 ( 42%) 5 0.00E+00 0.00E+00
- Goedecker2002 (412) 0.1642 0.1046 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)
=============================================================
==== rho_tw_g with use_padfft 1, map2sphere 1, ndat 1 ====
=============================================================
Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
- Goedecker (112) 0.0690 0.0690 1 (100%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0820 0.0612 2 ( 56%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.0920 0.0560 3 ( 41%) 5 0.00E+00 0.00E+00
- Goedecker (112) 0.1128 0.0676 4 ( 26%) 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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