<DIV>Dear Gabriele</DIV>
<DIV> Thank you very much for your advice ,I have found the problem in forum archives ,but no problem as mine .</DIV>
<DIV> You said that it is the problem of input file ,but when I use "mpirun -np 8 pw.x<input >out 'instead of pbs to submit the job ,it runs well .This puzzled me .</DIV>
<DIV> </DIV>
<DIV>>Send Pw_forum mailing list submissions to<BR>> pw_forum@pwscf.org<BR>><BR>>To subscribe or unsubscribe via the World Wide Web, visit<BR>> http://www.democritos.it/mailman/listinfo/pw_forum<BR>>or, via email, send a message with subject or body 'help' to<BR>> pw_forum-request@pwscf.org<BR>><BR>>You can reach the person managing the list at<BR>> pw_forum-owner@pwscf.org<BR>><BR>>When replying, please edit your Subject line so it is more specific<BR>>than "Re: Contents of Pw_forum digest..."<BR>><BR>><BR>>Today's Topics:<BR>><BR>> 1. Re: about pbs (Gabriele Sclauzero)<BR>> 2. EXX in espresso4.1.1 (Helen)<BR>> 3. Contents of Pw_forum digest (Shyam Khambholja)<BR>> 4. Re: EXX in espresso4.1.1 (Paolo Giannozzi)<BR>> 5. Re: Contents of Pw_forum digest (xirainbow)<BR>> 6. Re: one more question about NEB and CP (Nicola Marzari)<BR>> 7. Re: ee potential (ali kazempour)<BR>> 8. average (ali kazempour)<BR>><BR>><BR>>----------------------------------------------------------------------<BR>><BR>>Message: 1<BR>>Date: Mon, 23 Nov 2009 10:20:09 +0100<BR>>From: Gabriele Sclauzero <sclauzer@sissa.it><BR>>Subject: Re: [Pw_forum] about pbs<BR>>To: PWSCF Forum <pw_forum@pwscf.org><BR>>Message-ID: <4B0A53C9.2070005@sissa.it><BR>>Content-Type: text/plain; charset=UTF-8; format=flowed<BR>><BR>>Dear Wang,<BR>><BR>>Q.J.Wang wrote:<BR>>> Dear all<BR>>> Sometimes when I use PBS to submit the task ,it turn up the error <BR>>> as following :<BR>>> :%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>>> task # 3<BR>>> from potinit : error # 1<BR>>> starting and expected charges differ<BR>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>><BR>>This problem has been reported many times in this forum and in many different contexts. In <BR>>the majority of cases it is due to a wrong input file. If you don't specify something more <BR>>(for instance the input file...) it will be difficult to help you. First try a search <BR>>about this problem on the forum archives or on google:<BR>>"starting and expected charges differ" site:democritos.it<BR>><BR>>> <BR>>> when I not use PBS ,it runs well ,I don't why .Anybody who encounter the <BR>>> same problem ?<BR>><BR>>Does it mean that you find this problem only when running in parallel and not in serial <BR>>mode? Which fft libraries are you linking your program to?<BR>><BR>>regards,<BR>><BR>>GS<BR>><BR>>> Any help will be appreciated .</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>Best regards</DIV>
<DIV> Q.J.Wang <BR> XiangTan University<BR><BR><BR></DIV><br><br><span title="neteasefooter"/><hr/>
<a href="http://allyes.nie.163.com/main/adfclick?db=afanie&bid=1258,613,23&cid=147,4,1&sid=1355&show=ignore&url=http://tx2.163.com/fab.html">"Ñ©¼û"ÑîÃÝÑûÄ㹲Ʒ3D¹úÔÏÍøÓΡ¶ÌìÏ·¡¡·£¬º£±¨Ãâ·ÑÁì</a>
</span>