.Version 9.3.1 of FFTPROF .(MPI version, prepared for a x86_64_linux_gnu9.3 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 : Tue 10 Nov 2020. - ( at 22h24 ) 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) 0.0242 0.0243 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0249 0.0250 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0171 0.0172 1 (100%) 5 6.09E-16 1.65E-19 Consistency check: MAX(Max_|Err|) = 6.09E-16, Max(<|Err|>) = 1.65E-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) 0.0207 0.0208 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0214 0.0214 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0184 0.0184 1 (100%) 5 6.09E-16 1.65E-19 Consistency check: MAX(Max_|Err|) = 6.09E-16, Max(<|Err|>) = 1.65E-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) 0.0210 0.0211 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0209 0.0210 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0158 0.0158 1 (100%) 5 1.91E-13 3.07E-15 Consistency check: MAX(Max_|Err|) = 1.91E-13, Max(<|Err|>) = 3.07E-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) 0.0204 0.0204 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0212 0.0213 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0175 0.0175 1 (100%) 5 1.91E-13 3.07E-15 Consistency check: MAX(Max_|Err|) = 1.91E-13, Max(<|Err|>) = 3.07E-15, reference_lib: Goedecker (112) ===================================== ==== fftu with isign -1, ndat 1 ==== ===================================== Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|> - Goedecker (112) 0.0119 0.0119 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) 0.0069 0.0069 1 (100%) 5 6.37E-16 1.48E-20 Consistency check: MAX(Max_|Err|) = 6.37E-16, Max(<|Err|>) = 1.48E-20, reference_lib: Goedecker (112) ===================================== ==== fftu with isign 1, ndat 1 ==== ===================================== Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|> - Goedecker (112) 0.0134 0.0134 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) 0.0080 0.0080 1 (100%) 5 1.96E-13 3.09E-15 Consistency check: MAX(Max_|Err|) = 1.96E-13, Max(<|Err|>) = 3.09E-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) 0.0262 0.0262 1 (100%) 5 0.00E+00 0.00E+00 - Goedecker2002 (412) 0.0339 0.0340 1 (100%) 5 0.00E+00 0.00E+00 - FFTW3 (312) 0.0297 0.0298 1 (100%) 5 2.33E-16 9.16E-20 Consistency check: MAX(Max_|Err|) = 2.33E-16, Max(<|Err|>) = 9.16E-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) 0.0189 0.0189 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) 0.0212 0.0213 1 (100%) 5 3.35E-16 1.56E-19 Consistency check: MAX(Max_|Err|) = 3.35E-16, Max(<|Err|>) = 1.56E-19, reference_lib: Goedecker (112) Analysis completed.