[Wien] k-points parallelization

stargmoon stargmoon at yahoo.com
Fri Apr 14 18:01:08 CEST 2006


Dear WIEN2k community,
 
 We have a distributed memory machine reconfigured recently, the queuing system is SGE. I did a test run with hexagonal TiS2 (3 atoms/ unit cell), if I use small k-mesh, everything is okay. If I change to big k-mesh, the program stops at lapw2 without any error message. Actually, from the queue, the job looks running, but it in fact stops at lapw2 because no more output from the first processor (all other processors finish without any problem) forever.
 
 This question has been bothering me a week. Please help me! Your reply will be highly appreciated!
 
 Best regards,
 
 Stargmoon
 

		
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