mirror of https://github.com/abinit/abinit.git
149 lines
7.8 KiB
Plaintext
149 lines
7.8 KiB
Plaintext
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.Version 9.3.1 of FFTPROF
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.(MPI version, prepared for a x86_64_linux_gnu9.3 computer)
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.Copyright (C) 1998-2025 ABINIT group .
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FFTPROF comes with ABSOLUTELY NO WARRANTY.
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It is free software, and you are welcome to redistribute it
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under certain conditions (GNU General Public License,
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see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).
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ABINIT is a project of the Universite Catholique de Louvain,
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Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
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Please read https://docs.abinit.org/theory/acknowledgments for suggested
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acknowledgments of the ABINIT effort.
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For more information, see https://www.abinit.org .
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.Starting date : Tue 10 Nov 2020.
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- ( at 22h24 )
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Tool for profiling and testing the FFT libraries used in ABINIT.
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Allowed options are:
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fourdp --> Test FFT transforms of density and potentials on the full box.
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fourwf --> Test FFT transforms of wavefunctions using the zero-pad algorithm.
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gw_fft --> Test the FFT transforms used in the GW code.
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all --> Test all FFT routines.
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Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
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R(1)= 12.0000000 0.0000000 0.0000000 G(1)= 0.0833333 0.0000000 0.0000000
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R(2)= 0.0000000 11.0000000 0.0000000 G(2)= 0.0000000 0.0909091 0.0000000
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R(3)= 0.0000000 0.0000000 13.0000000 G(3)= 0.0000000 0.0000000 0.0769231
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Unit cell volume ucvol= 1.7160000E+03 bohr^3
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Unit cell volume ucvol= 1.7160000E+03 bohr^3
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Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 9.00000000E+01 degrees
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Angles (23,13,12)= 9.00000000E+01 9.00000000E+01 9.00000000E+01 degrees
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==== FFT setup for fftalg 110 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 110
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FFT cache size ............................ 16
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==== FFT setup for fftalg 111 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 111
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FFT cache size ............................ 16
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==== FFT setup for fftalg 112 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 112
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FFT cache size ............................ 16
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==== FFT setup for fftalg 410 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 410
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FFT cache size ............................ 16
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==== FFT setup for fftalg 411 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 411
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FFT cache size ............................ 16
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==== FFT setup for fftalg 412 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 412
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FFT cache size ............................ 16
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==== FFT setup for fftalg 312 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 312
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FFT cache size ............................ 16
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==== FFT setup for fftalg 512 ====
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FFT mesh divisions ........................ 75 72 80
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Augmented FFT divisions ................... 75 73 80
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FFT algorithm ............................. 512
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FFT cache size ............................ 16
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==============================================================
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==== fourwf with option 0, cplex 0, ndat 1, istwf_k 2 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.0114 0.0114 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (111) 0.0073 0.0073 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (112) 0.0043 0.0043 1 (100%) 5 2.54E-14 1.12E-15
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- Goedecker2002 (410) 0.0235 0.0236 1 (100%) 5 2.89E-14 1.39E-15
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- Goedecker2002 (411) 0.0054 0.0055 1 (100%) 5 2.37E-14 1.27E-15
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- Goedecker2002 (412) 0.0055 0.0055 1 (100%) 5 2.37E-14 1.27E-15
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- FFTW3 (312) 0.0037 0.0037 1 (100%) 5 2.37E-14 1.13E-15
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- DFTI (512) N/A N/A N/A N/A N/A N/A
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Consistency check: MAX(Max_|Err|) = 2.89E-14, Max(<|Err|>) = 1.39E-15, reference_lib: Goedecker (110)
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==============================================================
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==== fourwf with option 1, cplex 1, ndat 1, istwf_k 2 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.0102 0.0103 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (111) 0.0071 0.0071 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (112) 0.0037 0.0037 1 (100%) 5 1.59E-12 5.06E-15
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- Goedecker2002 (410) 0.0220 0.0220 1 (100%) 5 1.14E-12 5.93E-15
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- Goedecker2002 (411) 0.0062 0.0062 1 (100%) 5 1.59E-12 6.33E-15
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- Goedecker2002 (412) 0.0040 0.0040 1 (100%) 5 1.59E-12 6.33E-15
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- FFTW3 (312) 0.0030 0.0030 1 (100%) 5 1.36E-12 4.99E-15
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- DFTI (512) N/A N/A N/A N/A N/A N/A
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Consistency check: MAX(Max_|Err|) = 1.59E-12, Max(<|Err|>) = 6.33E-15, reference_lib: Goedecker (110)
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==============================================================
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==== fourwf with option 2, cplex 1, ndat 1, istwf_k 2 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.0189 0.0189 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (111) 0.0130 0.0130 1 (100%) 5 1.11E-16 4.52E-20
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- Goedecker (112) 0.0060 0.0060 1 (100%) 5 1.36E-16 7.52E-20
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- Goedecker2002 (410) 0.0348 0.0348 1 (100%) 5 3.17E-16 1.17E-19
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- Goedecker2002 (411) 0.0092 0.0092 1 (100%) 5 2.89E-16 1.14E-19
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- Goedecker2002 (412) 0.0072 0.0072 1 (100%) 5 2.89E-16 1.13E-19
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- FFTW3 (312) 0.0049 0.0049 1 (100%) 5 2.27E-16 9.57E-20
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- DFTI (512) N/A N/A N/A N/A N/A N/A
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Consistency check: MAX(Max_|Err|) = 3.17E-16, Max(<|Err|>) = 1.17E-19, reference_lib: Goedecker (110)
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==============================================================
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==== fourwf with option 3, cplex 0, ndat 1, istwf_k 2 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.0085 0.0086 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (111) 0.0052 0.0052 1 (100%) 5 3.33E-16 3.80E-20
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- Goedecker (112) 0.0051 0.0051 1 (100%) 5 3.33E-16 3.80E-20
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- Goedecker2002 (410) 0.0140 0.0140 1 (100%) 5 3.61E-16 7.52E-20
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- Goedecker2002 (411) 0.0041 0.0041 1 (100%) 5 3.19E-16 7.22E-20
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- Goedecker2002 (412) 0.0040 0.0041 1 (100%) 5 3.19E-16 7.22E-20
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- FFTW3 (312) 0.0054 0.0054 1 (100%) 5 2.22E-16 6.39E-20
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- DFTI (512) N/A N/A N/A N/A N/A N/A
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Consistency check: MAX(Max_|Err|) = 3.61E-16, Max(<|Err|>) = 7.52E-20, reference_lib: Goedecker (110)
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Analysis completed.
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