<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "> well.. specifically for this case the point is that there are not syntax errors.. <div>The line containing the LJ information for type C is read together with the keywords </div><div>for NONBONDED.. and cp2k fails only when looks for LJ parameter.. (i.e. once the information</div><div>is loaded into memory)..</div><div><br></div><div>It could not fail before because there's nothing to fail in the parameter file (i.e. the</div><div>file is correct regarding the syntax but is wrong in providing the proper informations. Again </div><div>according the CHARMM rules you are treating the line with C as continuation line of the </div><div>NONBONDED parameter.. since we don't parse specifically that line we don't catch any error</div><div>at this level. What would happen with CHARMM? )</div><div><br class="webkit-block-placeholder"></div><div>for other possible cases supporting your point of view is better treat them separately. ;-)</div><div><br class="webkit-block-placeholder"></div><div>cheers</div><div>teo</div><div><br class="webkit-block-placeholder"></div><div><div><div>On 3 Dec 2007, at 23:22, Guillaume wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">I realize that syntax errors are not caught when the input files are</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">read, but only once all the information is loaded into memory, but it</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">would still be very useful to have CP2K printing the lines of the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">input files that are responsible for the error.</font></p> </blockquote></div><br></div></body></html>