[Pw_forum] Hybrid calculation stop!!

toufik esssakhri tousak at hotmail.fr
Fri May 30 09:36:40 CEST 2014


Dear qe users and developpers,i want do calculations with hybrid functionnal using qe 5.0.1 parallel versionafter 23 iterations and plot k, the job suddenly stops without any error the last line in the output file is :  " the Fermi energy is    12.1994 ev"i can't say "out of memory" because i have 0.5 To in the scratch (where calculations will be done) and 5Go in the data i use :     Parallel version (MPI), running on    32 processors     R & G space division:  proc/pool =   32     48 atoms (metal type)i do not understand what happensany suggestions?cheers

Sakhraoui Taoufik
PhD student
 		 	   		  
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