[CPMD-list] Segmentation violation

BOUYER Frédéric 153746 FB153746 at atil.cea.fr
Mon May 3 11:13:57 CEST 2004


Hello Everybody,

One of my job is always existing and the computer generates the following
lines :

_________________________________________________________________


****  90 Fatal exception PROG=azzero ELN=27(40005ad18)
 SIGSEGV: Segmentation violation
                 Called from k_odiis ELN=101(40046f9dc)
                 Called from k_forces ELN=321(400477b18)
                 Called from k_updwf ELN=53(40046a0bc)
                 Called from rgmopt ELN=575(40049122c)
                 Called from gmopts ELN=162(4004874a8)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd_stuttgart ELN=3(400000a10)

________________________________________________________________

This is a job running on a NEC, with KPOINTS, and the SCF procedure is
sometimes reseting (ODIIS ...).

Many thanks to have a look at that and tell me what is wrong.

Best regards,

Frédéric

PS: Could anyone tell me where to find if one functional is spin polarized
or not. Many thanks too.




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