<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Not enough memory requested on memory card. Increase it to let’s say: memory,400,m; or whatever value you may maximally afford for the CI calculations to run.<br class=""><div class="">
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<br class=""><div><blockquote type="cite" class=""><div class="">On Apr 10, 2017, at 2:19 PM, Subharaj Hossain <<a href="mailto:subharaj30195@gmail.com" class="">subharaj30195@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">I am a licensed user from Indian Institute of Science (IISc), Bangalore.</span><br style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">I have been trying to do CASSCF calculation for triplet(3 SIGMA g state) C4(linear) and singlet(1 DELTA g)C4(linear) with 12 electrons,12 active orbitals with cc-pvdz basis set. </span><br style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">However, the calculation is always terminating with message "</span><font color="#4c4c4c" face="monospace" class=""><span style="font-size:12px" class="">Coulomb and exchange operators available. No transformation done.</span></font><div class=""><span style="font-size:12px;color:rgb(76,76,76);font-family:monospace" class="">Number of p-space configurations: 13 </span><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">insufficient memory available - require 15180648 have </span><span style="font-size:12px;color:rgb(76,76,76);font-family:monospace" class="">3290375 </span><span style="font-size:12px;color:rgb(76,76,76);font-family:monospace" class="">the request was for real words</span></div><div class=""><font color="#4c4c4c" face="monospace" class=""><span style="font-size:12px" class="">GLOBAL ERROR fehler on processor 0".</span></font><br class=""></div><br style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">Kindly suggest the best possible option recommended for this kind of problem.</span><br style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">I am attaching the input file of singlet C4 and output file for your kind information and ready reference.</span><br style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">Thanking you in advance and looking forward to receiving your valuable suggestions at your earliest convenience.</span><br style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px;white-space:nowrap" class="">Best regards,</span><br style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class=""><span style="color:rgb(76,76,76);font-family:monospace;font-size:12px" class="">Subharaj</span><br class=""></div>
<span id="cid:79E10F4F-601B-4946-BC3E-B24F2F743065@hsd1.md.comcast.net"><c4-casscf-sing-4-0-input.txt></span><span id="cid:CAA09F1D-D3CE-4D76-955C-62E6C9AD80EE@hsd1.md.comcast.net"><c4-casscf-sing-4-0-input.out></span>_______________________________________________<br class="">Molpro-user mailing list<br class=""><a href="mailto:Molpro-user@molpro.net" class="">Molpro-user@molpro.net</a><br class="">http://www.molpro.net/mailman/listinfo/molpro-user</div></blockquote></div><br class=""></body></html>