mirror of https://github.com/abinit/abinit.git
56 lines
1019 B
Plaintext
56 lines
1019 B
Plaintext
#Test lobpcg with OpenMP GPU
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ndtset 1
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wfoptalg 4 npband 1 npfft 1
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gpu_option 2
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np_spkpt 1
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ngfft 18 18 18
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ngfftdg 36 36 36
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occopt 1
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kptopt 0
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nkpt 1 tolvrs 1.0d-28
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nsppol 2 spinmagntarget 0.0d0
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ixc 1
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ecut 15. pawecutdg 50
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diemac 12.0d0 enunit 2
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nstep 16
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acell 3*7.0
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rprim 0.0 0.5 0.5
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0.5 0.0 0.5
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0.5 0.5 0.0
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xred 0.0 0.0 0.0
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0.22 0.22 0.22
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chksymtnons 0
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znucl 6
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nband 12 occ 4*2 8*0
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ntypat 1 typat 1 1 natom 2
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istwfk *2
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paral_kgb 0
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iomode 0 # Only for testing purposes
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fftalg 402
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pp_dirpath "$ABI_PSPDIR"
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pseudos "6c_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
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#%% max_nprocs = 1
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#%% [NCPU_1]
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#%% files_to_test = t20_MPI1.abo, tolnlines= 16, tolabs= 5.0e-8, tolrel= 2.0e-2
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#%% [extra_info]
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#%% keywords = PAW
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#%% authors = M. Sarraute
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#%% description =
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#%% LOBPCG, C-diamond, Bulk, 2 atoms, mono-GPU, istwfk==2, with PAW.
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#%% topics = parallelism
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#%%<END TEST_INFO>
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