<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear Sir<br>Thanks for your reply.<br>Here are the output file messages.<br>Ekample11: from cdiaghg : error # 15<br> diagonalization (ZHEGV*) failed<br> stopping ...<br><br>Example12: total cpu time spent up to now is 2.33 secs<br> WARNING: integrated charge= 16.99946705, expected= 16.00000000<br> from electrons : error # 1<br> charge is wrong<br> stopping ...<br><br>Another problem coming to picture is whever i am doing calculations for big size super cell its stopping with the following message.<br>7feb343d5000-7feb345d4000 ---p 00080000 08:05
229576 /lib/libm-2.7.so<br>7feb345d4000-7feb345d6000 rwxp 0007f000 08:05 229576 /lib/libm-2.7.so<br>7feb345d6000-7feb345f3000 r-xp 00000000 08:05 229569 /lib/ld-2.7.so<br>7feb3461d000-7feb347dc000 rwxp 7feb3461d000 00:00 0<br>7feb347f0000-7feb347f3000 rwxp 7feb347f0000 00:00 0<br>7feb347f3000-7feb347f5000 rwxp 0001d000 08:05 229569 /lib/ld-2.7.so<br>7fff220a8000-7fff220ee000 rwxp 7ffffffb9000 00:00
0 [stack]<br>7fff221e4000-7fff221e6000 r-xp 7fff221e4000 00:00 0 [vdso]<br>ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0 [vsyscall]<br>Aborted<br>2<br> done<br> running PDOS calculation for Ni...2<br> done<br><br>Please suggest what can I do?<br>regards<br>Padmaja Patnaik<br>
Research Scholar<br>
Dept of Physics<br>
IIT Bombay<br>
Mumbai, India<br><br><br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br><div class="plainMail">Message: 2<br>Date: Fri, 30 Jul 2010 11:16:40 -0700 (PDT)<br>From: Eyvaz Isaev <<a ymailto="mailto:eyvaz_isaev@yahoo.com" href="/mc/compose?to=eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>><br>Subject: Re: [Pw_forum] error in running examples<br>To: PWSCF Forum <<a ymailto="mailto:pw_forum@pwscf.org" href="/mc/compose?to=pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br>Message-ID: <<a ymailto="mailto:678276.13413.qm@web65701.mail.ac4.yahoo.com" href="/mc/compose?to=678276.13413.qm@web65701.mail.ac4.yahoo.com">678276.13413.qm@web65701.mail.ac4.yahoo.com</a>><br>Content-Type: text/plain; charset="us-ascii"<br><br>Dear Padmaja,<br><br>It is hard to conclude anything based on your message. Can you please have a <br>look at your output files for the failed runs and see what is the error
message?<br><br>Bests,<br>Eyvaz.<br><br> -------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, <br>Sweden <br><br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, <br>Russia, <br><br><a ymailto="mailto:isaev@ifm.liu.se" href="/mc/compose?to=isaev@ifm.liu.se">isaev@ifm.liu.se</a>, <a ymailto="mailto:eyvaz_isaev@yahoo.com" href="/mc/compose?to=eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a><br><br><br><br><br>________________________________<br>From: Padmaja Patnaik <<a ymailto="mailto:padmaja_patnaik@yahoo.co.uk" href="/mc/compose?to=padmaja_patnaik@yahoo.co.uk">padmaja_patnaik@yahoo.co.uk</a>><br>To: <a ymailto="mailto:pw_forum@pwscf.org" href="/mc/compose?to=pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>Sent: Fri, July 30, 2010 8:03:58 PM<br>Subject: [Pw_forum] error in running examples<br><br><br>Dear
all<br><br>I am trying to run espresso on a 64 bit parallel machine, four processors, with <br>Ubuntu-8.04. Few of the examples are not running successfully, like example 11, <br>12 and 13. It stops automatically giving the following error message.<br>---------------------------------------------------------------------------------<br> <br>cleaning /home/padmaja/tmp... done<br> running self-consistent calculation for Al atom...2<br>Error condition encountered during test: exit status = 2<br>Aborting<br>---------------------------------------------------------------------------------<br> <br><br>I have tried with different version of the code like, 4.0.3, 4.0.5, 4.1.1, 4.1.3 <br>and 4.2.1. No error in the configure and make all messages. <br><br>Please suggest.<br>Regards<br><br>Padmaja Patnaik<br>Research Scholar<br>Dept of Physics<br>IIT Bombay<br>Mumbai, India
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