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 8.0.3 of FFTPROF
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.(MPI version, prepared for a x86_64_linux_gnu5.3 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 : Mon 4 Apr 2016.
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- ( at 11h39 )
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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)= 20.0000000 0.0000000 0.0000000 G(1)= 0.0500000 0.0000000 0.0000000
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R(2)= 0.0000000 20.0000000 0.0000000 G(2)= 0.0000000 0.0500000 0.0000000
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R(3)= 0.0000000 0.0000000 20.0000000 G(3)= 0.0000000 0.0000000 0.0500000
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Unit cell volume ucvol= 8.0000000E+03 bohr^3
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Unit cell volume ucvol= 8.0000000E+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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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 ........................ 100 100 100
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Augmented FFT divisions ................... 101 101 100
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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) 0.0288 0.0288 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (111) 0.0186 0.0185 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (112) 0.0107 0.0107 1 (100%) 5 7.27E-14 1.97E-15
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- Goedecker2002 (410) 0.0651 0.0650 1 (100%) 5 6.02E-14 1.79E-15
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- Goedecker2002 (411) 0.0173 0.0173 1 (100%) 5 6.71E-14 1.97E-15
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- Goedecker2002 (412) 0.0174 0.0174 1 (100%) 5 6.71E-14 1.97E-15
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- FFTW3 (312) 0.0093 0.0093 1 (100%) 5 9.25E-14 2.02E-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|) = 9.25E-14, Max(<|Err|>) = 2.02E-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) 0.0293 0.0293 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (111) 0.0188 0.0188 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (112) 0.0098 0.0098 1 (100%) 5 2.18E-11 1.62E-14
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- Goedecker2002 (410) 0.0643 0.0644 1 (100%) 5 2.18E-11 1.37E-14
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- Goedecker2002 (411) 0.0229 0.0229 1 (100%) 5 1.82E-11 1.61E-14
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- Goedecker2002 (412) 0.0109 0.0109 1 (100%) 5 1.82E-11 1.61E-14
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- FFTW3 (312) 0.0083 0.0083 1 (100%) 5 2.55E-11 1.96E-14
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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|) = 2.55E-11, Max(<|Err|>) = 1.96E-14, 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) 0.0538 0.0538 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker (111) 0.0322 0.0322 1 (100%) 5 3.33E-16 8.24E-20
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- Goedecker (112) 0.0161 0.0161 1 (100%) 5 2.44E-16 1.16E-19
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- Goedecker2002 (410) 0.0984 0.0984 1 (100%) 5 1.69E-16 1.15E-19
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- Goedecker2002 (411) 0.0280 0.0280 1 (100%) 5 2.44E-16 1.21E-19
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- Goedecker2002 (412) 0.0185 0.0184 1 (100%) 5 2.44E-16 1.21E-19
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- FFTW3 (312) 0.0133 0.0133 1 (100%) 5 2.30E-16 1.55E-19
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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|) = 3.33E-16, Max(<|Err|>) = 1.55E-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) 0.0239 0.0238 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 2.63E-20
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- Goedecker (112) 0.0127 0.0127 1 (100%) 5 1.11E-16 2.63E-20
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- Goedecker2002 (410) 0.0366 0.0365 1 (100%) 5 1.11E-16 2.36E-20
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- Goedecker2002 (411) 0.0095 0.0095 1 (100%) 5 1.11E-16 2.49E-20
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- Goedecker2002 (412) 0.0097 0.0096 1 (100%) 5 1.11E-16 2.49E-20
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- FFTW3 (312) 1.3732 0.0376 1 (100%) 5 1.24E-16 3.61E-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|) = 1.24E-16, Max(<|Err|>) = 3.61E-20, reference_lib: Goedecker (110)
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Analysis completed.
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