[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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