Dear Marcel<br> I just look through the codes, and found this error information is due to matrix factorization, i.e. it means your<br>calculation would give some singular values during the mix_pot/rho calculation. <br><br>
bests,<br><br>hai-ping<br><br><div><span class="gmail_quote">On 10/30/07, <b class="gmail_sendername">Marcel Mohr</b> <<a href="mailto:marcel@physik.tu-berlin.de">marcel@physik.tu-berlin.de</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi both of you,<br><br>>> Referring to $ESPRESSO/Doc/INPUT_PH, keyword 'recover' can reach your<br>>> goal.<br>>><br><br>at least it's what the manual says. Last time I did a recover, after a
<br>crash I obtained the following message<br><br> Representation # 6 mode # 6<br><br> Self-consistent Calculation<br><br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from broyden : error # 4
<br> factorization<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<br> from broyden : error # 4<br> factorization<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<br> from broyden : error # 4<br> factorization<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<br> from broyden : error # 4<br> factorization<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br>job aborted:<br>rank: node: exit code[: error message]
<br>0: david012: -2<br>1: david012: -2: application called MPI_Abort(MPI_COMM_WORLD, 0) - process<br>1<br>2: david012: -2<br>3: david012: -2<br><br><br><br>and in the CRASH file<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
<br> task # 1<br> from broyden : error # 4<br> factorization<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br><br>Cheers Marcel<br><br><br><br>On Tue, 30 Oct 2007, xu yuehua wrote:
<br><br>> hi ,Hai-Ping<br>> THANKS for your <a href="http://help.it">help.it</a> saves me a lot of time.<br>> bests<br>><br>><br>><br>> 2007/10/30, lan haiping <<a href="mailto:lanhaiping@gmail.com">
lanhaiping@gmail.com</a>>:<br>>><br>>> Hai-Ping<br>>><br>>> On 10/30/07, xu yuehua <<a href="mailto:njuxuyuehua@gmail.com">njuxuyuehua@gmail.com</a>> wrote:<br>>><br>>>><br>
>>> hello ,everyone:<br>>>> my calculation cost much time,so i want to go on the calculation at the<br>>>> stop .<br>>>> but i do not know whether it can achieve the aim and how to deal with
<br>>>> it<br>>>> i need your help.<br>>>> thanks a lot<br>>>> --<br>>>> Xu Yuehua<br>>>> physics Department of Nanjing university<br>>>> China<br>>>>
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http://www.democritos.it/mailman/listinfo/pw_forum</a><br>>>><br>>>><br>>><br>>><br>>> --<br>>> Hai-Ping Lan<br>>> Department of Electronics ,<br>>> Peking University , Bejing, 100871
<br>>> <a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>>> _______________________________________________<br>>> Pw_forum mailing list
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<br>><br>><br>> --<br>> Xu Yuehua<br>> physics Department of Nanjing university<br>> China<br>><br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">
Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,
<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a>