[Pw_forum] xspectra.x(XAS calculation)
vivek shukla
vns391 at gmail.com
Thu Aug 20 18:05:43 CEST 2015
I am running Xspectra code in espresso. I am getting sementation fault all
the time for my 3 different systems which i have checked. Please suggest me
what can be the problem. I am attaching the scf and xspectra input files.
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
xspectra.x 00000000009A28C9 Unknown Unknown Unknown
xspectra.x 00000000009A1240 Unknown Unknown Unknown
xspectra.x 0000000000953422 Unknown Unknown Unknown
xspectra.x 00000000008E69B3 Unknown Unknown Unknown
xspectra.x 00000000008ECA7B Unknown Unknown Unknown
libpthread.so.0 00007F1FFAE1C710 Unknown Unknown Unknown
xspectra.x 000000000041EA0A xanes_dipole_..0 1262
xspectra.f90
xspectra.x 0000000000409FE5 MAIN__ 937
xspectra.f90
xspectra.x 0000000000406316 Unknown Unknown Unknown
libc.so.6 00007F1FF9B6DD5D Unknown Unknown Unknown
xspectra.x 0000000000406209 Unknown Unknown Unknown
Sincerely
Vivekanand Shukla
Uppsala University
Division of Materials Theory
Physics And Astronomy
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150820/be9f0e08/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: diamond.scf.in
Type: application/octet-stream
Size: 521 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150820/be9f0e08/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: diamond.xspectra.in
Type: application/octet-stream
Size: 545 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150820/be9f0e08/attachment-0001.obj>
More information about the users
mailing list