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 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)= 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) 0.0242 0.0243 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0249 0.0250 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0171 0.0172 1 (100%) 5 6.09E-16 1.65E-19
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Consistency check: MAX(Max_|Err|) = 6.09E-16, Max(<|Err|>) = 1.65E-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) 0.0207 0.0208 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0214 0.0214 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0184 0.0184 1 (100%) 5 6.09E-16 1.65E-19
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Consistency check: MAX(Max_|Err|) = 6.09E-16, Max(<|Err|>) = 1.65E-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) 0.0210 0.0211 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0209 0.0210 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0158 0.0158 1 (100%) 5 1.91E-13 3.07E-15
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Consistency check: MAX(Max_|Err|) = 1.91E-13, Max(<|Err|>) = 3.07E-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) 0.0204 0.0204 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0212 0.0213 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0175 0.0175 1 (100%) 5 1.91E-13 3.07E-15
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Consistency check: MAX(Max_|Err|) = 1.91E-13, Max(<|Err|>) = 3.07E-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) 0.0119 0.0119 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) 0.0069 0.0069 1 (100%) 5 6.37E-16 1.48E-20
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Consistency check: MAX(Max_|Err|) = 6.37E-16, Max(<|Err|>) = 1.48E-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) 0.0134 0.0134 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) 0.0080 0.0080 1 (100%) 5 1.96E-13 3.09E-15
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Consistency check: MAX(Max_|Err|) = 1.96E-13, Max(<|Err|>) = 3.09E-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) 0.0262 0.0262 1 (100%) 5 0.00E+00 0.00E+00
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- Goedecker2002 (412) 0.0339 0.0340 1 (100%) 5 0.00E+00 0.00E+00
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- FFTW3 (312) 0.0297 0.0298 1 (100%) 5 2.33E-16 9.16E-20
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Consistency check: MAX(Max_|Err|) = 2.33E-16, Max(<|Err|>) = 9.16E-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) 0.0189 0.0189 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) 0.0212 0.0213 1 (100%) 5 3.35E-16 1.56E-19
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Consistency check: MAX(Max_|Err|) = 3.35E-16, Max(<|Err|>) = 1.56E-19, reference_lib: Goedecker (112)
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Analysis completed.
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