[Wien] A problem in volume otimization with sin orbit interaction
Mahmoud Farout
mq2021 at yahoo.com
Sun Nov 14 21:08:16 CET 2010
I tried to do this optimization to the AN compound and every thing was done well
but when I tried to do it for BN doed with A
I face this error
--- On Sun, 11/14/10, Mahmoud Farout <mq2021 at yahoo.com> wrote:
From: Mahmoud Farout <mq2021 at yahoo.com>
Subject: [Wien] A problem in volume otimization with sin orbit interaction
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Sunday, November 14, 2010, 9:21 PM
Hello every wien user this is my first calculation of so with acompound ( examle:AB3N4) or BN doped with A
the calculation without SO and with SO (SCF) done well
but when I tried to optimize the volume
with runsp_lapw -so
this error was obtained
thank you for help
forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rsp
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown
Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.000u 0.002s 0:00.00 0.0% 0+0k 0+24io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart dstart.def failed
forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspup
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown
Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.001u 0.000s 0:00.00 0.0% 0+0k 0+16io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart updstart.def failed
forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspdn
Image PC Routine Line Source
dstart 080CF94D Unknown
Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.000u 0.002s 0:00.00 0.0% 0+0k 0+16io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart dndstart.def failed
forrtl: severe (24): end-of-file during read, unit 81, file
/root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rsp
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.001u 0.000s 0:00.00 0.0% 0+0k
0+8io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart dstart.def failed
forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspup
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5
Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.000u 0.001s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart updstart.def failed
forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspdn
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart
08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.001u 0.002s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart dndstart.def failed
forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rsp
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart
0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.003u 0.002s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart dstart.def failed
forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/old.clmsum
Image PC Routine Line Source
clmaddsub 080A085D Unknown Unknown Unknown
clmaddsub 0809F655 Unknown Unknown Unknown
clmaddsub 08073FCF Unknown Unknown Unknown
clmaddsub
08052347 Unknown Unknown Unknown
clmaddsub 08051CCB Unknown Unknown Unknown
clmaddsub 0805FC87 Unknown Unknown Unknown
clmaddsub 0804AFBB Unknown Unknown Unknown
clmaddsub 08049FA1 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
clmaddsub 08049EB1 Unknown Unknown Unknown
0.012u 0.000s 0:00.01 100.0% 0+0k 0+208io 0pf+0w
error: command /root/WIEN2010/WIEN10/clmaddsub clmaddsub.def failed
clmextrapol_lapw has generated a new Optimization_SO.clmsum
forrtl: severe (24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspup
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart
080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown Unknown Unknown
0.002u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart updstart.def failed
forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/old.clmup
Image PC
Routine Line Source
clmaddsub 080A085D Unknown Unknown Unknown
clmaddsub 0809F655 Unknown Unknown Unknown
clmaddsub 08073FCF Unknown Unknown Unknown
clmaddsub 08052347 Unknown Unknown Unknown
clmaddsub 08051CCB Unknown Unknown Unknown
clmaddsub 0805FC87 Unknown Unknown Unknown
clmaddsub 0804AFBB Unknown Unknown Unknown
clmaddsub 08049FA1 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
clmaddsub 08049EB1 Unknown Unknown Unknown
0.007u 0.005s 0:00.01 0.0% 0+0k 0+200io 0pf+0w
error: command /root/WIEN2010/WIEN10/clmaddsub upclmaddsub.def failed
clmextrapol_lapw has generated a new Optimization_SO.clmup
forrtl: severe
(24): end-of-file during read, unit 81, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.rspdn
Image PC Routine Line Source
dstart 080CF94D Unknown Unknown Unknown
dstart 080CE745 Unknown Unknown Unknown
dstart 0809893F Unknown Unknown Unknown
dstart 080720B7 Unknown Unknown Unknown
dstart 08071A3B Unknown Unknown Unknown
dstart 0807E457 Unknown Unknown Unknown
dstart 08055057 Unknown Unknown Unknown
dstart 08053D4E Unknown Unknown Unknown
dstart 0804A181 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
dstart 0804A091 Unknown
Unknown Unknown
0.001u 0.001s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /root/WIEN2010/WIEN10/dstart dndstart.def failed
forrtl: severe (24): end-of-file during read, unit 12, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/old.clmdn
Image PC Routine Line Source
clmaddsub 080A085D Unknown Unknown Unknown
clmaddsub 0809F655 Unknown Unknown Unknown
clmaddsub 08073FCF Unknown Unknown Unknown
clmaddsub 08052347 Unknown Unknown Unknown
clmaddsub 08051CCB Unknown Unknown Unknown
clmaddsub 0805FC87 Unknown Unknown Unknown
clmaddsub 0804AFBB Unknown Unknown Unknown
clmaddsub 08049FA1 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown
Unknown Unknown
clmaddsub 08049EB1 Unknown Unknown Unknown
0.008u 0.007s 0:00.00 0.0% 0+0k 0+208io 0pf+0w
error: command /root/WIEN2010/WIEN10/clmaddsub dnclmaddsub.def failed
clmextrapol_lapw has generated a new Optimization_SO.clmdn
forrtl: severe (24): end-of-file during read, unit 8, file /root/WIEN2k/Alloys/x=0.25/GGA/Optimization_SO/Optimization_SO.clmsum
Image PC Routine Line Source
lapw0 08138A8D Unknown Unknown Unknown
lapw0 08137885 Unknown Unknown Unknown
lapw0 080F5F9F Unknown Unknown Unknown
lapw0 080C8637 Unknown Unknown Unknown
lapw0 080C7FBB Unknown Unknown Unknown
lapw0 080D9E77 Unknown Unknown Unknown
lapw0 080715BD Unknown
Unknown Unknown
lapw0 0804A431 Unknown Unknown Unknown
libc.so.6 002F66D5 Unknown Unknown Unknown
lapw0 0804A341 Unknown Unknown Unknown
> stop error
ERROR status in Optimization_SO_vol___2.0
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