mirror of https://github.com/abinit/abinit.git
143 lines
7.0 KiB
Plaintext
143 lines
7.0 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 112 ====
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FFT mesh divisions ........................ 90 90 90
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Augmented FFT divisions ................... 91 91 90
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FFT algorithm ............................. 112
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FFT cache size ............................ 16
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==== FFT setup for fftalg 412 ====
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FFT mesh divisions ........................ 90 90 90
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Augmented FFT divisions ................... 91 91 90
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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 ........................ 90 90 90
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Augmented FFT divisions ................... 91 91 90
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FFT algorithm ............................. 312
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FFT cache size ............................ 16
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====================================================
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==== fftbox with isign -1, in-place 0, ndat 1 ====
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====================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0259 0.0259 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0258 0.0258 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0185 0.0185 1 (100%) 5 6.48E-16 1.59E-19
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Consistency check: MAX(Max_|Err|) = 6.48E-16, Max(<|Err|>) = 1.59E-19, reference_lib: Goedecker (112)
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====================================================
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==== fftbox with isign -1, in-place 1, ndat 1 ====
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====================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0228 0.0227 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0229 0.0229 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0186 0.0186 1 (100%) 5 6.48E-16 1.59E-19
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Consistency check: MAX(Max_|Err|) = 6.48E-16, Max(<|Err|>) = 1.59E-19, reference_lib: Goedecker (112)
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====================================================
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==== fftbox with isign 1, in-place 0, ndat 1 ====
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====================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0227 0.0227 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0226 0.0226 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0181 0.0181 1 (100%) 5 1.93E-13 3.09E-15
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Consistency check: MAX(Max_|Err|) = 1.93E-13, Max(<|Err|>) = 3.09E-15, reference_lib: Goedecker (112)
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====================================================
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==== fftbox with isign 1, in-place 1, ndat 1 ====
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====================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0221 0.0221 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0220 0.0220 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0176 0.0176 1 (100%) 5 1.93E-13 3.09E-15
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Consistency check: MAX(Max_|Err|) = 1.93E-13, Max(<|Err|>) = 3.09E-15, reference_lib: Goedecker (112)
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=====================================
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==== fftu with isign -1, ndat 1 ====
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=====================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0140 0.0140 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) N/A N/A N/A N/A N/A N/A
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- FFTW3 (312) 0.0090 0.0090 1 (100%) 5 6.54E-16 1.37E-20
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Consistency check: MAX(Max_|Err|) = 6.54E-16, Max(<|Err|>) = 1.37E-20, reference_lib: Goedecker (112)
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=====================================
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==== fftu with isign 1, ndat 1 ====
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=====================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0158 0.0159 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) N/A N/A N/A N/A N/A N/A
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- FFTW3 (312) 0.0100 0.0100 1 (100%) 5 1.89E-13 3.12E-15
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Consistency check: MAX(Max_|Err|) = 1.89E-13, Max(<|Err|>) = 3.12E-15, reference_lib: Goedecker (112)
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=============================================================
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==== rho_tw_g with use_padfft 0, map2sphere 1, ndat 1 ====
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=============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0287 0.0287 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0291 0.0291 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0253 0.0253 1 (100%) 5 2.28E-16 8.58E-20
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Consistency check: MAX(Max_|Err|) = 2.28E-16, Max(<|Err|>) = 8.58E-20, reference_lib: Goedecker (112)
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=============================================================
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==== rho_tw_g with use_padfft 1, map2sphere 1, ndat 1 ====
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=============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (112) 0.0193 0.0193 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) N/A N/A N/A N/A N/A N/A
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- FFTW3 (312) 0.0176 0.0176 1 (100%) 5 3.08E-16 1.44E-19
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Consistency check: MAX(Max_|Err|) = 3.08E-16, Max(<|Err|>) = 1.44E-19, reference_lib: Goedecker (112)
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Analysis completed.
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