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Hi Nick,<div><br class="webkit-block-placeholder"></div><div>for DFT this is the section you need to check:</div><div><br class="webkit-block-placeholder"></div><div><a href="http://cp2k.berlios.de/input/InputReference~__ROOT__~FORCE_EVAL~DFT~MGRID~RS_GRID.html">http://cp2k.berlios.de/input/InputReference~__ROOT__~FORCE_EVAL~DFT~MGRID~RS_GRID.html</a></div><div><br class="webkit-block-placeholder"></div><div>in particular distribution_type therein..</div><div>Ciao,</div><div>teo</div><div><br class="webkit-block-placeholder"></div><div><br><div><div>On 29 Feb 2008, at 21:43, Nichols A. Romero wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Ciao Teo,<br><br>I cannot find the keyword to do realspace replicated. Can you help?<br><br><div class="gmail_quote">On Fri, Feb 29, 2008 at 3:31 PM, Teodoro Laino <<a href="mailto:teodor...@gmail.com">teodor...@gmail.com</a>> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div style=""> Ciao Nick,<div><br></div><div>Looks like it is a problem with the new real-space distirbution.. can you try </div><div><br></div><div>the realspace distribution -> replicated ?</div><div>Does it work?</div><div><br></div> <div>In case I guess people working on that need an input file (even a fake one) reproducing the same error to debug the problem..</div><div><br></div><div>Thanks Nick!</div><div>teo</div><div><div></div><div class="Wj3C7c"> <div><br><div><div>On 29 Feb 2008, at 21:23, Nichols A. Romero wrote:</div><br><blockquote type="cite">Hi,<br><br>We are working on a very large system size ~ 4000 atoms. It is finite system and<br>there is about 20 Bohr of vacuum on all sides. (Probably overkill).<br> <br>I think the error that I am receiving has to do with the parallel distribution of<br> the data. Would the distribution algorithm fail if there is too much vacuum perhaps?<br><br>Here is the error message. BTW, we seem to be able to run the 4096 & 8196 test<br> cases.<br><br><p><br><font face="Courier New" size="2"> Extrapolation method: initial_guess</font> </p> <br><p><font face="Courier New" size="2"> *</font> <br><font face="Courier New" size="2"> *** ERROR in pack_matrix almost there ***</font> <br> <font face="Courier New" size="2"> *</font> </p> <br><p><font face="Courier New" size="2"> *** Matrix block not found ***</font> </p><br><br clear="all"><br>-- <br>Nichols A. Romero, Ph.D.<br>DoD User Productivity Enhancement and Technology Transfer (PET) Group<br> High Performance Technologies, Inc.<br>Reston, VA<br>443-567-8328 (C)<br>410-278-2692 (O)<br> <br> <br></blockquote></div><br></div><br></div></div> </div><br> </blockquote></div><br><br clear="all"><br>-- <br>Nichols A. Romero, Ph.D.<br>DoD User Productivity Enhancement and Technology Transfer (PET) Group<br>High Performance Technologies, Inc.<br>Reston, VA<br>443-567-8328 (C)<br> 410-278-2692 (O)<br> <br> <br></blockquote></div><br></div></body></html>