[CPMD-list] TR : Segmentation violation

[BOUYER Frédéric 153746]

Hello,

Even if the line CALL TIHALT('   FNONLOC',ISUB)in fnonloc.F is added
(recommended by Juerg Hutter), I have segmentation violation too. Have a
look at the followings :

******************* with CPMD recompiled **********************
****  90 Fatal exception PROG=azzero ELN=27(40005ad18)
 ****  90 Fatal exception PROG=azzero ELN=27(40005ad18)
 ****  90 Fatal exception PROG=azzero ELN=26(40005ad00)
 SIGSEGV: Segmentation violation
 ****  90 Fatal exception PROG=azzero ELN=27(40005ad18)
 ****  90 Fatal exception PROG=azzero ELN=27(40005ad18)
 ****  90 Fatal exception PROG=azzero ELN=26(40005ad00)
 ****  90 Fatal exception PROG=azzero ELN=27(40005ad18)
 ****  90 Fatal exception PROG=azzero ELN=27(40005ad10)
 SIGSEGV: Segmentation violation
 SIGSEGV: Segmentation violation
                 Called from k_odiis ELN=101(40046fa5c)
 SIGSEGV: Segmentation violation
 SIGSEGV: Segmentation violation
 SIGSEGV: Segmentation violation
 SIGSEGV: Segmentation violation
 SIGSEGV: Segmentation violation
                 Called from k_odiis ELN=101(40046fa5c)
                 Called from k_odiis ELN=101(40046fa5c)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_odiis ELN=101(40046fa5c)
                 Called from k_odiis ELN=101(40046fa5c)
                 Called from k_odiis ELN=101(40046fa5c)
                 Called from k_odiis ELN=101(40046fa5c)
                 Called from k_odiis ELN=101(40046fa5c)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_forces ELN=321(400477b98)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from k_updwf ELN=53(40046a13c)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from gmopts ELN=162(400487528)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from rgmopt ELN=575(4004912ac)
                 Called from gmopts ELN=162(400487528)
                 Called from gmopts ELN=162(400487528)
                 Called from cpmd ELN=126(4000018d0)
                 Called from gmopts ELN=162(400487528)
                 Called from gmopts ELN=162(400487528)
                 Called from gmopts ELN=162(400487528)
                 Called from gmopts ELN=162(400487528)
                 Called from gmopts ELN=162(400487528)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd_stuttgart ELN=3(400000a10)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd ELN=126(4000018d0)
                 Called from cpmd_stuttgart ELN=3(400000a10)
                 Called from cpmd_stuttgart ELN=3(400000a10)
 
                 Called from cpmd_stuttgart ELN=3(400000a10)
                 Called from cpmd_stuttgart ELN=3(400000a10)
                 Called from cpmd_stuttgart ELN=3(400000a10)
                 Called from cpmd_stuttgart ELN=3(400000a10)
                 Called from cpmd_stuttgart ELN=3(400000a10)
 
 
****************************************************

And CPMD is exiting always. Thanks to have a look at that problem.

Best regards,

Frédéric

-----Message d'origine-----
De : BOUYER Frédéric 153746 
Envoyé : lundi 3 mai 2004 11:14
À : cpmd-list at cpmd.org
Objet : Segmentation violation

Hello Everybody,

One of my job is always exiting 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.