.Version 8.0.3 of FFTPROF .(MPI version, prepared for a x86_64_linux_gnu5.3 computer) .Copyright (C) 1998-2024 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 11h39 ) 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. 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) 0.0259 0.0259 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0258 0.0258 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0185 0.0185 1 (100%) 5 6.48E-16 1.59E-19 Consistency check: MAX(Max_|Err|) = 6.48E-16, Max(<|Err|>) = 1.59E-19, 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) 0.0228 0.0227 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0229 0.0229 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0186 0.0186 1 (100%) 5 6.48E-16 1.59E-19 Consistency check: MAX(Max_|Err|) = 6.48E-16, Max(<|Err|>) = 1.59E-19, 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) 0.0227 0.0227 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0226 0.0226 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0181 0.0181 1 (100%) 5 1.93E-13 3.09E-15 Consistency check: MAX(Max_|Err|) = 1.93E-13, Max(<|Err|>) = 3.09E-15, 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) 0.0221 0.0221 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0220 0.0220 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0176 0.0176 1 (100%) 5 1.93E-13 3.09E-15 Consistency check: MAX(Max_|Err|) = 1.93E-13, Max(<|Err|>) = 3.09E-15, reference_lib: Goedecker (112) ===================================== ==== fftu with isign -1, ndat 1 ==== ===================================== Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|> - Goedecker (112) 0.0140 0.0140 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) N/A N/A N/A N/A N/A N/A - FFTW3 (312) 0.0090 0.0090 1 (100%) 5 6.54E-16 1.37E-20 Consistency check: MAX(Max_|Err|) = 6.54E-16, Max(<|Err|>) = 1.37E-20, reference_lib: Goedecker (112) ===================================== ==== fftu with isign 1, ndat 1 ==== ===================================== Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|> - Goedecker (112) 0.0158 0.0159 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) N/A N/A N/A N/A N/A N/A - FFTW3 (312) 0.0100 0.0100 1 (100%) 5 1.89E-13 3.12E-15 Consistency check: MAX(Max_|Err|) = 1.89E-13, Max(<|Err|>) = 3.12E-15, 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) 0.0287 0.0287 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0291 0.0291 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0253 0.0253 1 (100%) 5 2.28E-16 8.58E-20 Consistency check: MAX(Max_|Err|) = 2.28E-16, Max(<|Err|>) = 8.58E-20, 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) 0.0193 0.0193 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) N/A N/A N/A N/A N/A N/A - FFTW3 (312) 0.0176 0.0176 1 (100%) 5 3.08E-16 1.44E-19 Consistency check: MAX(Max_|Err|) = 3.08E-16, Max(<|Err|>) = 1.44E-19, reference_lib: Goedecker (112) Analysis completed.