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Dear all,<br>
<br>
I am running jobs to find the cell parameter of a cubic structure. I
have prepared 5 different *vol* files with cell volumes varying
between -10% and +10%. I then submitted <br>
x optimize.job <br>
on a SUN machine. <br>
<br>
<font color="#3333ff"><font color="#000000">At the end of the 1st
step of the scf cycle (at the mixer step) the job failed with
the following error message:</font><br>
<br>
lib-4095 : UNRECOVERABLE library error <br>
A WRITE operation is invalid if the file is positioned after the
end-of-file.<br>
<br>
Encountered during a list-directed WRITE to unit 22<br>
Fortran unit 22 is connected to a sequential formatted text file:<br>
"param.scf"<br>
<br>
> stop error<br>
ERROR status in param_vol_-10.0</font><br>
<br>
<br>
Note that a simple SCF minimization works fine on this machine.<br>
<br>
If I then switch to a SGI machine, the job works fine.<br>
<br>
Does anybody has ever encountered this behaviour?<br>
<br>
Best regards<br>
Pascal<br>
<br>
<br>
<pre class="moz-signature" cols="72">--
!!!!WARNING: my phone number has CHANGED!!!!
Dr. pascal Boulet, computational chemist
University of Aix-Marseille I
Laboratoire Chimie Provence, UMR 6264
Group of Theoretical Chemistry
Avenue Normandie-Niemen
13397 Marseille Cedex 20
France
**********
Tel. (+33) (0)413.55.18.10
Fax. (+33) (0)491.55.18.50
**********
<a class="moz-txt-link-freetext" href="http://www.lc-provence.fr">http://www.lc-provence.fr</a>
<a class="moz-txt-link-freetext" href="https://sites.google.com/a/univ-provence.fr/pb-comput-chem">https://sites.google.com/a/univ-provence.fr/pb-comput-chem</a>
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