<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><div>Il giorno 09/set/2010, alle ore 13.34, Dimpy Sharma ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite">
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<br><p><font size="2">Hi there,<br>
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I was trying to calculate transmisson using pwcond,The system contains 282 atoms,</font></p></div></blockquote><div>It's a lot of atoms for the memory requirements of PWcond. Have you tried with a smaller system?</div><div><br></div><blockquote type="cite"><div><p><font size="2">my scf calculation for both the lead and scattering run successfully but while running the Pwcond,the calculation stops without giving CRASH file.The output file crashes with the following<br>
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6_656: (392.304688) net_send: could not write to fd=5, errno = 32<br>
Segmentation fault<br>
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segmentation fault.<br></font></p></div></blockquote><div>Most probably you have run out of memory. Try with a smaller system or reduce the PW cutoffs or provide more memory per process (e.g. by running with less processes than the total number of CPUs available per node).</div><div><br></div><div><br></div><div>HTH</div><div><br></div><div>GS</div><div><br></div><br><blockquote type="cite"><div><p><font size="2">
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Any advice welcome.<br>
Thanks and regards<br>
Dimpy<br>
Dimpy Sharma<br>
ETG-Group<br>
Tyndall National Institute<br>
Cork<br>
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<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div><span class="Apple-style-span" style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic; "><br class="Apple-interchange-newline">§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font class="Apple-style-span" color="#7E7E7E"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div></span>
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