[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
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