[Wien] Error in OPTIC
Luis Ogando
lcodacal at gmail.com
Mon Jan 26 12:23:17 CET 2015
Dear Wien2k community,
I am getting an error when using OPTIC in parallel that was previously
reported in the mailing list ( http://www.mail-archive.com/wien%40zeus.
theochem.tuwien.ac.at/msg06175.html ).
It looks like it should be solved in the latest version of Wien2k (
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06176.html
) but I am running the Wien2k 14.2 version.
==========================================================
My case.inop is (some redundant choices for checking purposes):
99999 1 number of k-points, first k-point
-7.0 5.0 702 Emin, Emax for matrix elements, NBvalMAX
9 number of choices (columns in *outmat): 2: hex or tetrag. case
1 Re xx
2 Re yy
3 Re zz
4 Re xy
5 Re xz
6 Re yz
7 Im xy
8 Im xz
9 Im yz
OFF ON/OFF writes MME to unit 4
==========================================================
The error message is (just once in a 12 processors k-point parallel job):
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line
Source
opticc 00000000004DEC19 Unknown Unknown Unknown
opticc 00000000004DD4EE Unknown Unknown Unknown
opticc 0000000000490C42 Unknown Unknown Unknown
opticc 000000000044F138 Unknown Unknown Unknown
opticc 000000000045327B Unknown Unknown Unknown
libpthread.so.0 00002AAAAAF55810 Unknown Unknown Unknown
opticc 00000000004228BA planew_ 164 planew_
tmp.f
opticc 00000000004324F2 mom_mat_ 588 sph-UP_
tmp.f
opticc 000000000041CA26 MAIN__ 453 opmain.f
opticc 0000000000403606 Unknown Unknown Unknown
libc.so.6 00002AAAAB385C36 Unknown Unknown Unknown
opticc 00000000004034F9 Unknown Unknown Unknown
==========================================================
Many thanks,
Luis
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150126/282651b0/attachment-0001.html>
More information about the Wien
mailing list