mirror of https://github.com/abinit/abinit.git
40 lines
816 B
Plaintext
40 lines
816 B
Plaintext
#test hydrogen in a BIG box.
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#Checks FFT routines for large grid in x direction that doesn't fit cpu cache
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acell 300 2*4.00
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ecut 30
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kptopt 0
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kpt 0.5 0.5 0.5
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nkpt 1
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natom 1
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nband 1
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nstep 1
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ntypat 1
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occopt 1
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rprim 1.0 0.0 0.0
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0.0 1.0 0.0
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0.0 0.0 1.0
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xred 0.0 0.0 0.0
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typat 1
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tolwfr 1.e-22
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znucl 1
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nline 2
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pp_dirpath "$ABI_PSPDIR"
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pseudos "PseudosGTH_pwteter/01h.pspgth"
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = abinit
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#%% [files]
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#%% files_to_test =
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#%% t43.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = Unknown
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#%% keywords =
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#%% description =
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#%% H atom, non-spin-polarized.
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#%% Test a very large grid in x direction.
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#%%<END TEST_INFO>
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