<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "> <br><div><div>On 25 Apr 2008, at 01:20, LIANG Yunfeng wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; 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: 0; ">Wow, I'm the first guy!</span></blockquote><div><br class="webkit-block-placeholder"></div>well.. yes... and that's the reason why I personally think that it's your mistake..</div><div>(anyway Axel did some very pertinent comments that justify the increase in the time in your MD)..</div><div><br><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; 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: 0; ">Attached are the *.ener file. I thought the input file (attached in the previous email) has already contained full information.</span></blockquote></div><div>A general remark (no need to send us the coordinates, since Axel already found your bug): </div><div>This is not a puzzle game!! (There are mind games much more funny to be solved indeed!)..</div><div> </div><div>A good rule when you have a problem and ask for help to other people is to let the other people reproduce your problem.</div><div>Now if you think that your system is particularly important and you don't want to share it with other people you MUST find</div><div>a way to reproduce the same the error with another system (the smallest the best) and send the whole bunch of input</div><div>files with your help request.</div><div>This has nothing to do with CP2K. This is part of the basic and general rule when interacting with a discussion group or</div><div>absolutely mandatory when you do a bug report or when you claim to have found a bug (as you did).</div><div>This will make the life of all the people easier and you can expect to get some help back!</div><div><br class="webkit-block-placeholder"></div><div>Thanks</div><div>Teo</div></body></html>