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Dear Gerald,<br>
<br>
to enable restarts, you should put the 'file' command in your input
file,<br>
see section '7.1 FILE' of the manual.<br>
The wave functions will usually be stored by default. You may put in
additional<br>
'save' commands to save CI vectors and so on. Some information is in
sections<br>
'4.2 Files', '4.3 Records', and for 'save' in the sections of the
corresponding<br>
commands. <br>
<br>
Best wishes,<br>
Klaus<br>
<br>
<div class="moz-cite-prefix">On 01.03.2018 15:27, Hoffman, Gerald
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:624C71FA8F84914CBF467494BC2F1F45013F247615@EX02.eup.edinboro.edu">
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<div style="direction: ltr;font-family: Tahoma;color:
#000000;font-size: 10pt;">There is going to be an electrical
shutdown at my university a week before a long calculation is
due to finish. I would like to restart the calculation so as to
preserve the 10 weeks of calculation already done.
<div><br>
</div>
<div>I have read the manual entry on the RESTART command, but I
can't make head or tail of it. Are files designated by
numbers? Some clarity would be helpful.</div>
<div><br>
</div>
<div>Thank you.</div>
<div><br>
</div>
<div>Gerry Hoffman<br>
<div><br>
<div style="font-family:Tahoma; font-size:13px">
<p>Gerald J. Hoffman, Ph. D.</p>
<p>Associate Professor of Chemistry</p>
<p>Edinboro University of Pennsylvania</p>
<p>230 Scotland Road</p>
<p>Edinboro, PA 16444</p>
<p> </p>
<p>814-732-2813</p>
<p> </p>
<p><a href="mailto:ghoffman@edinboro.edu"
moz-do-not-send="true">ghoffman@edinboro.edu</a></p>
<p> </p>
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<br>
<pre class="moz-signature" cols="72">--
Klaus Doll
University of Stuttgart
Molpro Quantum Chemistry Software
Institute of Theoretical Chemistry
Pfaffenwaldring 55
D-70569 Stuttgart
Germany
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