<html><head></head><body><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div>Hi dears</div><div><br></div><div> I run an ic-mrci calculation on a single computer where I installed the version 2012 (serial 2; Molpro for a single designated Mac or linux workstation, non-commercial use, parallel execution). <br></div><div><br></div><div><b>The problem</b> is that the calculation for one internuclear distance (r) takes a long time.</div><div><br></div><div>1) if I change the <b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Processor</span></b> of my computer (Memory: 39,3 GiB) from (<span class="ydpa284cc68value">Intel Xeon E5-2620; <b>cache</b>: 15MB; </span><b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Frequency:</span></b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"> 2 GHz</span>; <b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Core:</span></b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"> 6</span> ) to (<span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">i7-5960X</span>; <b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Cache:</span></b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"> 20MB</span>; <b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Frequency:</span></b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"> 3GHz up to 3.5GHz</span>; <b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA">Core:</span></b><span style="font-size:12.0pt;line-height:150%;font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA"> 8</span>)<br></div><div> </div><div>Will my license for Molpro be affected? e.g. my Molpro installation could be altered?</div><div><br></div><div><br></div><div>2) If I do the previous change, will the time calculation for mrci decrease significantly ? knowing that 7 electrons are excited for this method with 17 correlated electrons. </div><div><br></div><div>Thank you in advance .<br></div><div><br></div><div><br></div></div></body></html>