[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
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