mirror of https://github.com/abinit/abinit.git
101 lines
4.2 KiB
Plaintext
101 lines
4.2 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 19h00 )
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- input file -> /home/buildbot/ABINIT3/eos_gnu_13.2_mpich/trunk_merge-10.0/tests/TestBot_MPI1/etsf_io_t22/t22.abi
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- output file -> t22.abo
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- root for input files -> t22i
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- root for output files -> t22o
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Symmetries : space group P1 (# 1); Bravais aP (primitive triclinic)
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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 = 1 ionmov = 0 iscf = 7 lmnmax = 1
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lnmax = 1 mgfft = 24 mpssoang = 1 mqgrid = 3001
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natom = 1 nloc_mem = 1 nspden = 1 nspinor = 1
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nsppol = 1 nsym = 1 n1xccc = 0 ntypat = 1
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occopt = 1 xclevel = 1
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- mband = 1 mffmem = 1 mkmem = 1
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mpw = 258 nfft = 13824 nkpt = 1
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================================================================================
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P This job should need less than 4.240 Mbytes of memory.
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Rough estimation (10% accuracy) of disk space for files :
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_ WF disk file : 0.006 Mbytes ; DEN or POT disk file : 0.107 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 1.0000000000E+01 1.0000000000E+01 1.0000000000E+01 Bohr
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amu 1.00794000E+00
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diemac 1.00000000E+00
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ecut 5.00000000E+00 Hartree
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- fftalg 512
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intxc 1
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istwfk 2
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kptopt 0
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P mkmem 1
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natom 1
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nband 1
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ngfft 24 24 24
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nkpt 1
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nline 3
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nstep 20
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nsym 1
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ntypat 1
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occ 1.000000
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prtvol -2
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spgroup 1
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tolwfr 1.00000000E-14
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typat 1
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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=-2, debugging mode => will skip driver
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== END DATASET(S) ==============================================================
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================================================================================
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abinit : before driver, prtvol=-2, 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=-2, 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 3 COMMENTs to log file.
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+Overall time at end (sec) : cpu= 0.1 wall= 0.1
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