mirror of https://github.com/abinit/abinit.git
61 lines
1.2 KiB
Plaintext
61 lines
1.2 KiB
Plaintext
# Test paral_kgb 0 eigensolver and IO routines with idle processors.
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ndtset 2
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ecut 12
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pawecutdg 12
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nband 6
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nsppol 2
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spinmagntarget 0.0
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#iomode 1
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ngkpt 1 1 1
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nshiftk 1
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shiftk 0.0 0.0 0.0
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#################
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### DATASET 1 ###
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#################
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tolvrs1 1e-12
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#################
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### DATASET 2 ###
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#################
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tolvrs2 1e-8
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getden2 -1
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getwfk2 -1
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acell 1.0 1.0 1.0
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xred
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0.0 0.0 0.0
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0.25 0.25 0.25
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typat 1 1
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ntypat 1
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rprim
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6.3285005521 0.0 3.6537614973
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2.1095001840 5.9665675402 3.6537614973
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0.0 0.0 7.3075229946
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natom 2
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znucl 14
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pp_dirpath "$ABI_PSPDIR"
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pseudos "Si-LDA.paw"
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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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#%% [paral_info]
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#%% nprocs_to_test = 1, 4
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#%% max_nprocs = 4
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#%% [NCPU_1]
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#%% files_to_test = t62_MPI1.abo, tolnlines= 20, tolabs= 2.0e-5, tolrel= 3.0e-4
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#%% [NCPU_4]
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#%% files_to_test = t62_MPI4.abo, tolnlines= 20, tolabs= 2.0e-5, tolrel= 3.0e-4
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#%% [extra_info]
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#%% authors = M. Giantomassi
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#%% keywords = PAW
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#%% description = Test paral_kgb 0 eigensolver and IO routines with idle processors.
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#%%<END TEST_INFO>
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