mirror of https://github.com/abinit/abinit.git
112 lines
5.1 KiB
Plaintext
112 lines
5.1 KiB
Plaintext
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.Version 10.1.4.5 of ABINIT, released Sep 2024.
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.(MPI version, prepared for a x86_64_linux_gnu13.2 computer)
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.Copyright (C) 1998-2025 ABINIT group .
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ABINIT 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 : Fri 13 Sep 2024.
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- ( at 19h10 )
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- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_merge-10.0/tests/TestBot_MPI1/v4_t98/t98.abi
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- output file -> t98.abo
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- root for input files -> t98i
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- root for output files -> t98o
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Symmetries : space group Cm (# 8); Bravais mC (1-face-center monocl.)
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================================================================================
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Values of the parameters that define the memory need of the present run
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intxc = 0 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 12 mpssoang = 1 mqgrid = 3001
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natom = 3 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 2 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 3 mffmem = 1 mkmem = 1
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mpw = 27 nfft = 1200 nkpt = 1
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================================================================================
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P This job should need less than 0.778 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.003 Mbytes ; DEN or POT disk file : 0.011 Mbytes.
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================================================================================
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--------------------------------------------------------------------------------
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------------- Echo of variables that govern the present computation ------------
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--------------------------------------------------------------------------------
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-
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- outvars: echo of selected default values
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- iomode0 = 0 , fftalg0 =512 , wfoptalg0 = 0
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-
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- outvars: echo of global parameters not present in the input file
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- max_nthreads = 0
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-
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-outvars: echo values of preprocessed input variables --------
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acell 7.0000000000E+00 7.0000000000E+00 7.0000000000E+00 Bohr
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amu 1.00794000E+00
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ecut 1.00000000E+00 Hartree
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- fftalg 512
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istwfk 2
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kptopt 0
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P mkmem 1
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natom 3
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nband 3
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ngfft 10 10 12
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nkpt 1
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nline 1
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nstep 1
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nsym 2
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ntypat 1
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occ 2.000000 1.000000 0.000000
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prtvol -1
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rprim -1.0000000000E+00 1.0000000000E+00 0.0000000000E+00
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1.0000000000E+00 0.0000000000E+00 -1.0000000000E+00
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-1.0000000000E+00 -1.0000000000E+00 -1.0000000000E+00
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spgroup 8
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symrel 1 0 0 0 1 0 0 0 1 -1 0 0 1 1 0 0 0 1
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toldfe 1.00000000E-06 Hartree
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typat 1 1 1
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xangst -3.7042404601E-02 -3.7042404601E-02 7.4084809203E-02
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2.9375236054E-16 2.9375236054E-16 -3.3338164141E+00
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-4.2228341245E+00 -5.1859366442E-01 -3.0374771773E+00
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xcart -7.0000000000E-02 -7.0000000000E-02 1.4000000000E-01
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5.5511151231E-16 5.5511151231E-16 -6.3000000000E+00
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-7.9800000000E+00 -9.8000000000E-01 -5.7400000000E+00
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xred -1.0000000000E-02 -2.0000000000E-02 1.6355964202E-19
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3.0000000000E-01 6.0000000000E-01 3.0000000000E-01
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5.6000000000E-01 1.2000000000E-01 7.0000000000E-01
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znucl 1.00000
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================================================================================
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chkinp: Checking input parameters for consistency.
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abinit : before driver, prtvol=-1, debugging mode => will skip driver
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== END DATASET(S) ==============================================================
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================================================================================
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abinit : before driver, prtvol=-1, debugging mode => will skip outvars
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- Timing analysis has been suppressed with timopt=0
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abinit : before driver, prtvol=-1, debugging mode => will skip acknowledgments
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-
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- Proc. 0 individual time (sec): cpu= 0.1 wall= 0.1
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================================================================================
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Calculation completed.
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.Delivered 0 WARNINGs and 4 COMMENTs to log file.
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+Overall time at end (sec) : cpu= 0.1 wall= 0.1
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