[Wien] large-kpoints optic calculation error

bruce.tian brucetian8080 at gmail.com
Tue Sep 30 11:37:00 CEST 2014


Dear all:
In optic calculation I try to expand the k-points to 500k k-points and meet
the following error in "x joint -up". What is potential reason for this
error? The optic package work well at small k-points, such as 20k k-points.
The version of Wien2k is v13.

tf at a110:~/lapw/fmhcpni5> x joint -up
 opmat allocated with kkk,nemax1,ncol         968          88           2 (
           0  MB)
  SUM OF WEIGHTS:    1.00000000993179
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
joint              00000000004038C1  arbdos_                   325  arbdos.f
joint              0000000000412370  MAIN__                    610  joint.f
joint              00000000004034AC  Unknown               Unknown  Unknown
libc.so.6          00002B12CF5CF184  Unknown               Unknown  Unknown
joint              00000000004033D9  Unknown               Unknown  Unknown
58.287u 3.104s 1:01.48 99.8%    0+0k 0+24io 0pf+0w
error: command   /home/users/tf/WIEN2k_13/joint upjoint.def   failed


Thanks!
best
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