[Wien] help required

arqum hashmi arqumhashmi at yahoo.com
Wed Aug 8 09:51:42 CEST 2012


Dear Wien2k users and Prof Blaha,

i am doing calculation of multilayer Boron nitride and Graphene. i made their 3x3x1 cell. After initialization, when i started scf cycle, suddenly lapw1 crashed and it giving this error in STDOUT.

LAPW0 END
forrtl: severe (179): Cannot allocate array - overflow on array size calculation.
Image              PC        Routine            Line        Source             
lapw1c             080FF8A7  Unknown               Unknown  Unknown
lapw1c             080FEEC7  Unknown               Unknown  Unknown
lapw1c             080C57E6  Unknown               Unknown  Unknown
lapw1c             08095030  Unknown               Unknown  Unknown
lapw1c             080B173D  Unknown               Unknown  Unknown
lapw1c             0807756F  matrices_mp_init_         552  modules_tmp_.F
lapw1c             08052B21  coors_                    209  coors.f
lapw1c             08050C38  calkpt_                   144  calkpt_tmp_.F
lapw1c             08071504  MAIN__                     61  lapw1_tmp_.F
lapw1c             0804B151  Unknown               Unknown  Unknown
libc.so.6          5622CBE5  Unknown               Unknown  Unknown
lapw1c             0804B081  Unknown               Unknown  Unknown
forrtl: severe (179): Cannot allocate array - overflow on array size calculation.
Image              PC        Routine            Line        Source             
lapw1c             080FF8A7  Unknown               Unknown  Unknown
lapw1c             080FEEC7  Unknown               Unknown  Unknown
lapw1c             080C57E6  Unknown               Unknown  Unknown
lapw1c             08095030  Unknown               Unknown  Unknown
lapw1c             080B173D  Unknown               Unknown  Unknown
lapw1c             0807756F  matrices_mp_init_         552  modules_tmp_.F
lapw1c             08052B21  coors_                    209  coors.f
lapw1c             08050C38  calkpt_                   144  calkpt_tmp_.F
lapw1c             08071504  MAIN__                     61  lapw1_tmp_.F
lapw1c             0804B151  Unknown               Unknown  Unknown
libc.so.6          5622CBE5  Unknown               Unknown  Unknown
lapw1c             0804B081  Unknown               Unknown  Unknown >   stop error


Please guide me how can i solve this problem.i will be very thankful to you.


Thanks and Regards
Arqum Hashmi
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