It seems you have "activated" runsp_lapw in the optimize.job script, which is
ok.
But I do not understand why you have 2 dstart calls and not 3 ???
And you have to find more info (error files ?) about the problem.
Make sure, your steps between different volumes are not too large.
Am 28.03.2013 23:07, schrieb Mourad Karima:
Dear all
I have done the optimization of antiferromagnetic calculation but Ifound the
error ; please help me to resolve this problem
Invalid null command.
FORTRAN STOP DSTART ENDS
21.6u 0.0s 3:01.98 11.9% 0+0k 3264+15712io 14pf+0w
Invalid null command.
FORTRAN STOP DSTART ENDS
21.6u 0.0s 2:32.88 14.1% 0+0k 560+15712io 1pf+0w
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 2 ETEST: 0 CTEST: 0
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 3 ETEST: 0 CTEST: 0
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 4 ETEST: 3.5883945000000000 CTEST: .3203587
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 5 ETEST: .2121380000000000 CTEST: .1623899
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 6 ETEST: .0997755000000000 CTEST: .1544762
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 7 ETEST: .0256975000000000 CTEST: .0254993
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 8 ETEST: .0138755000000000 CTEST: .0188288
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 9 ETEST: .0040795000000000 CTEST: .0110860
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
in cycle 10 ETEST: .0017220000000000 CTEST: .0115956
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP ORB END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW1 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPW2 END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP LAPWDM END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP CORE END
Invalid null command.
FORTRAN STOP MIXER END
stop
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, vorb*, scf and struct files saved under
LaO2_vol__-8.0
Invalid null command.
FORTRAN STOP DSTART ENDS
17.0u 0.0s 1:53.65 15.0% 0+0k 3752+14544io 15pf+0w
Invalid null command.
FORTRAN STOP DSTART ENDS
17.0u 0.0s 1:54.89 14.9% 0+0k 520+16256io 1pf+0w
hup: Command not found.
Invalid null command.
FORTRAN STOP LAPW0 END
** Address Error **
End of diagnostics
stop error
ERROR status in LaO2_vol___0.0
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--
-----------------------------------------
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Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pbl...@theochem.tuwien.ac.at
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