mirror of https://github.com/abinit/abinit.git
155 lines
8.2 KiB
Plaintext
155 lines
8.2 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 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 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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- Will use non-blocking ialltoall for MPI-FFT
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==============================================================
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==== fourwf with option 0, cplex 0, ndat 4, istwf_k 1 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.1188 0.1192 1 (100%) 2 0.00E+00 0.00E+00
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- Goedecker (111) 0.0906 0.0909 1 (100%) 2 0.00E+00 0.00E+00
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- Goedecker (112) 0.0682 0.0684 1 (100%) 2 5.78E-14 1.76E-15
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- Goedecker2002 (411) 0.0863 0.0865 1 (100%) 2 6.02E-14 1.79E-15
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- Goedecker2002 (412) 0.0840 0.0843 1 (100%) 2 6.02E-14 1.79E-15
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- FFTW3 (312) 0.0492 0.0494 1 (100%) 2 9.45E-14 2.09E-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|) = 9.45E-14, Max(<|Err|>) = 2.09E-15, reference_lib: Goedecker (110)
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==============================================================
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==== fourwf with option 1, cplex 1, ndat 4, istwf_k 1 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.1153 0.1158 1 (100%) 2 0.00E+00 0.00E+00
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- Goedecker (111) 0.0804 0.0807 1 (100%) 2 0.00E+00 0.00E+00
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- Goedecker (112) 0.0622 0.0624 1 (100%) 2 7.28E-11 1.28E-14
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- Goedecker2002 (411) 0.0858 0.0860 1 (100%) 2 8.73E-11 1.37E-14
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- Goedecker2002 (412) 0.0792 0.0795 1 (100%) 2 8.73E-11 1.37E-14
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- FFTW3 (312) 0.0474 0.0476 1 (100%) 2 1.02E-10 1.79E-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|) = 1.02E-10, Max(<|Err|>) = 1.79E-14, reference_lib: Goedecker (110)
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==============================================================
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==== fourwf with option 2, cplex 1, ndat 4, istwf_k 1 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.2133 0.2140 1 (100%) 2 0.00E+00 0.00E+00
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- Goedecker (111) 0.1362 0.1367 1 (100%) 2 3.33E-16 1.66E-19
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- Goedecker (112) 0.1014 0.1017 1 (100%) 2 1.67E-16 2.16E-19
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- Goedecker2002 (411) 0.1502 0.1507 1 (100%) 2 1.69E-16 2.30E-19
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- Goedecker2002 (412) 0.1416 0.1420 1 (100%) 2 1.69E-16 2.30E-19
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- FFTW3 (312) 0.0766 0.0769 1 (100%) 2 3.37E-16 3.03E-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|) = 3.37E-16, Max(<|Err|>) = 3.03E-19, reference_lib: Goedecker (110)
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==============================================================
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==== fourwf with option 3, cplex 0, ndat 4, istwf_k 1 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.1007 0.1011 1 (100%) 2 0.00E+00 0.00E+00
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- Goedecker (111) 0.0640 0.0642 1 (100%) 2 1.11E-16 5.28E-20
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- Goedecker (112) 0.0640 0.0642 1 (100%) 2 1.11E-16 5.28E-20
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- Goedecker2002 (411) 0.0709 0.0711 1 (100%) 2 1.12E-16 4.72E-20
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- Goedecker2002 (412) 0.0680 0.0682 1 (100%) 2 1.12E-16 4.72E-20
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- FFTW3 (312) 0.0315 0.0316 1 (100%) 2 1.67E-16 6.44E-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|) = 1.67E-16, Max(<|Err|>) = 6.44E-20, reference_lib: Goedecker (110)
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==============================================================
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==== fourwf with option 2, cplex 2, ndat 4, istwf_k 1 ====
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==============================================================
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Library CPU-time WALL-time nthreads ncalls Max_|Err| <|Err|>
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- Goedecker (110) 0.2118 0.2126 1 (100%) 2 0.00E+00 0.00E+00
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- Goedecker (111) 0.1378 0.1383 1 (100%) 2 2.23E-16 1.92E-19
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- Goedecker (112) 0.1073 0.1078 1 (100%) 2 2.24E-16 2.74E-19
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- Goedecker2002 (411) 0.1515 0.1520 1 (100%) 2 2.26E-16 2.84E-19
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- Goedecker2002 (412) 0.1431 0.1436 1 (100%) 2 2.26E-16 2.84E-19
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- FFTW3 (312) 0.0702 0.0705 1 (100%) 2 4.60E-16 3.64E-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|) = 4.60E-16, Max(<|Err|>) = 3.64E-19, reference_lib: Goedecker (110)
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Analysis completed.
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