#Test the triple parallelisation. #We cannot check the distribution npband*npfft*npkpt=2*2*2=8 processors, #this number being not allowed in the test procedure. #Here, we only test the parallelisation over FFT and kpoints: #npband*npfft*npkpt=1*2*2=4 processors. #In test tY.in we check other distributions for guarantee. use_slk 1 bandpp 1 istwfk 30*1 npband 1 npkpt 2 npfft 2 ngfft 18 18 18 ngfftdg 36 36 36 occopt 7 tsmear 0.001 kptrlatt 4 0 0 0 4 0 0 0 4 nshiftk 4 shiftk 1/2 1/2 1/2 1/2 0.0 0.0 0.0 1/2 0.0 0.0 0.0 1/2 ionmov 3 ntime 3 toldff 1.2d-7 tolmxf 1.0d-5 optcell 1 ecutsm 0.5 dilatmx 1.1 ixc 1 ecut 15. pawecutdg 50 diemac 12.0d0 enunit 2 nstep 5 acell 3*7.0 rprim 0.0 0.5 0.5 0.5 0.0 0.5 0.5 0.5 0.0 xred 0.0 0.0 0.0 0.22 0.22 0.22 chksymtnons 0 znucl 6 nband 12 occ 4*2 8*0 ntypat 1 typat 1 1 natom 2 paral_kgb 1 iomode 0 # Only for testing purposes pp_dirpath "$ABI_PSPDIR" pseudos "6c_lda.paw" #%% #%% [setup] #%% executable = abinit #%% [files] #%% [paral_info] #%% nprocs_to_test = 4 #%% max_nprocs = 4 #%% [NCPU_4] #%% files_to_test = t24_MPI4.out, tolnlines= 236, tolabs= 3.0e-4, tolrel= 7.0e-1 #%% [extra_info] #%% keywords = PAW #%% authors = Unknown #%% description = #%% C-diamond, Bulk, 2 atoms, paral_kgb, with PAW. #%% Test the triple parallelisation. #%% We cannot check the distribution npband*npfft*npkpt=2*2*2=8 processors, #%% this number being not allowed in the test procedure. #%% Here, we only test the parallelisation over FFT and kpoints: #%% npband*npfft*npkpt=1*2*2=4 processors. #%% In test tY.in we check other distributions for guarantee. #%% topics = parallelism #%%