No subject
Tue Sep 28 09:14:34 CEST 2010
> forrtl: severe (24): end-of-file during read, unit 81, file
>=A0 /root/WIEN2k/Alloys/x=3D0.25/GGA/Optimization_SO/Optimization_SO.rsp
> error: command=A0=A0=A0/root/WIEN2010/WIEN10/dstart dstart.def=A0=A0=A0fa=
iled
> forrtl: severe (24): end-of-file during read, unit 81, file
>=A0 /root/WIEN2k/Alloys/x=3D0.25/GGA/Optimization_SO/Optimization_SO.rspup
> error: command=A0=A0=A0/root/WIEN2010/WIEN10/dstart updstart.def=A0=A0=A0=
failed
> forrtl: severe (24): end-of-file during read, unit 81, file
>=A0 /root/WIEN2k/Alloys/x=3D0.25/GGA/Optimization_SO/Optimization_SO.rspdn
Dear Mahmoud,
As your diagnostics shows, there are no files Optimization_SO.rsp,=20
Optimization_SO.rspup, and Optimization_SO.rspdn in your directory.
These files are being done during initialisation by program lstart.
So, do "x lstart" with all the answers you have done during initialisation.
By the way, if, during optimization, you change description of atoms in the=
=20
struct file (Rmt, R0, Npt - parameters of atom description) you should=20
recalculate the rsp-files.
Best wishes
=A0 Lyudmila Dobysheva=20
------------------------------------------------------------------
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
------------------------------------------------------------------
Tel.:7(3412) 442118 (home), 218988(office), 250614(Fax)
E-mail: lyu at otf.pti.udm.ru
=A0 =A0 =A0 =A0 lyuka17 at mail.ru
=A0 =A0 =A0 =A0 lyu at otf.fti.udmurtia.su
http://fti.udm.ru/content/view/25/103/lang,english/
------------------------------------------------------------------
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
=0A=0A=0A
--0-706834215-1289837355=:91740
Content-Type: text/html; charset=iso-8859-1
Content-Transfer-Encoding: quoted-printable
<table cellspacing=3D"0" cellpadding=3D"0" border=3D"0" ><tr><td valign=3D"=
top" style=3D"font: inherit;">Thank you I will try it<br><br>--- On <b>Mon,=
11/15/10, Lyudmila V. Dobysheva <i><lyu at otf.pti.udm.ru></i></b> wrot=
e:<br><blockquote style=3D"border-left: 2px solid rgb(16, 16, 255); margin-=
left: 5px; padding-left: 5px;"><br>From: Lyudmila V. Dobysheva <lyu at otf.=
pti.udm.ru><br>Subject: Re: [Wien] A problem in volume otimization with =
sin orbit interaction<br>To: "A Mailing list for WIEN2k users" <wien at zeu=
s.theochem.tuwien.ac.at><br>Date: Monday, November 15, 2010, 9:47 AM<br>=
<br><div class=3D"plainMail">From 14 Nov 2010 23:08:16 Mahmoud Farout wrote=
:<br>> forrtl: severe (24): end-of-file during read, unit 81, file<br>&g=
t; /root/WIEN2k/Alloys/x=3D0.25/GGA/Optimization_SO/Optimization_SO.r=
sp<br><br>> error: command /root/WIEN2010/WIEN10/dstart=
dstart.def failed<br>> forrtl: severe (24): end-of-fil=
e during
read, unit 81, file<br>> /root/WIEN2k/Alloys/x=3D0.25/GGA/Optimiz=
ation_SO/Optimization_SO.rspup<br><br>> error: command =
/root/WIEN2010/WIEN10/dstart updstart.def failed<br>> f=
orrtl: severe (24): end-of-file during read, unit 81, file<br>> /r=
oot/WIEN2k/Alloys/x=3D0.25/GGA/Optimization_SO/Optimization_SO.rspdn<br><br=
>Dear Mahmoud,<br><br>As your diagnostics shows, there are no files Optimiz=
ation_SO.rsp, <br>Optimization_SO.rspup, and Optimization_SO.rspdn in your =
directory.<br><br>These files are being done during initialisation by progr=
am lstart.<br>So, do "x lstart" with all the answers you have done during i=
nitialisation.<br><br>By the way, if, during optimization, you change descr=
iption of atoms in the <br>struct file (Rmt, R0, Npt - parameters of atom d=
escription) you should <br>recalculate the rsp-files.<br><br>Best wishes<br=
> Lyudmila Dobysheva
<br>------------------------------------------------------------------<br>=
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.<br>426001 Izhevsk=
, ul.Kirova 132<br>RUSSIA<br>----------------------------------------------=
--------------------<br>Tel.:7(3412) 442118 (home), 218988(office), 250614(=
Fax)<br>E-mail: <a ymailto=3D"mailto:lyu at otf.pti.udm.ru" href=3D"/mc/compos=
e?to=3Dlyu at otf.pti.udm.ru">lyu at otf.pti.udm.ru</a><br> &=
nbsp; <a ymailto=3D"mailto:lyuka17 at mail.ru" href=3D"/mc/compose?to=3Dlyuka1=
7 at mail.ru">lyuka17 at mail.ru</a><br> <a ymailto=3D=
"mailto:lyu at otf.fti.udmurtia.su" href=3D"/mc/compose?to=3Dlyu at otf.fti.udmur=
tia.su">lyu at otf.fti.udmurtia.su</a><br><a href=3D"http://fti.udm.ru/content=
/view/25/103/lang,english/" target=3D"_blank">http://fti.udm.ru/content/vie=
w/25/103/lang,english/</a><br>---------------------------------------------=
---------------------<br>_______________________________________________<br=
>Wien mailing
list<br><a ymailto=3D"mailto:Wien at zeus.theochem.tuwien.ac.at" href=3D"/mc/=
compose?to=3DWien at zeus.theochem.tuwien.ac.at">Wien at zeus.theochem.tuwien.ac.=
at</a><br><a href=3D"http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wie=
n" target=3D"_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wie=
n</a><br></div></blockquote></td></tr></table><br>=0A=0A
--0-706834215-1289837355=:91740--
More information about the Wien
mailing list