# Test paral_kgb 0 eigensolver and IO routines with idle processors. ndtset 2 ecut 12 pawecutdg 12 nband 6 nsppol 2 spinmagntarget 0.0 #iomode 1 ngkpt 1 1 1 nshiftk 1 shiftk 0.0 0.0 0.0 ################# ### DATASET 1 ### ################# tolvrs1 1e-12 ################# ### DATASET 2 ### ################# tolvrs2 1e-8 getden2 -1 getwfk2 -1 acell 1.0 1.0 1.0 xred 0.0 0.0 0.0 0.25 0.25 0.25 typat 1 1 ntypat 1 rprim 6.3285005521 0.0 3.6537614973 2.1095001840 5.9665675402 3.6537614973 0.0 0.0 7.3075229946 natom 2 znucl 14 pp_dirpath "$ABI_PSPDIR" pseudos "Si-LDA.paw" #%% #%% [setup] #%% executable = abinit #%% [files] #%% [paral_info] #%% nprocs_to_test = 1, 4 #%% max_nprocs = 4 #%% [NCPU_1] #%% files_to_test = t62_MPI1.out, tolnlines= 20, tolabs= 2.0e-5, tolrel= 3.0e-4 #%% [NCPU_4] #%% files_to_test = t62_MPI4.out, tolnlines= 20, tolabs= 2.0e-5, tolrel= 3.0e-4 #%% [extra_info] #%% authors = M. Giantomassi #%% keywords = PAW #%% description = Test paral_kgb 0 eigensolver and IO routines with idle processors. #%%