<DIV>Dear prof.:</DIV>
<DIV>Because of my big system (118 total atoms, 50 inequivalent atoms), if I lower nmatmax or nume, then I have to <FONT face="Times New Roman" size=3>lower the </FONT><SPAN lang=EN-US style="FONT-SIZE: 10.5pt; FONT-FAMILY: 'Times New Roman'; mso-bidi-font-size: 12.0pt; mso-fareast-font-family: ËÎÌå; mso-font-kerning: 1.0pt; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">rkmax, am I right?</SPAN><BR><BR><B><I>Torsten Andersen <thor@physik.uni-kl.de></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">It is an "out of memory" type of error...<BR><BR>It means that you need to increase the amount of memory in your <BR>computer, add swap space, or LOWER nmatmax and/or nume.<BR><BR>Best regards,<BR>Torsten Andersen.<BR><BR>´äÓñ ¹¢ wrote:<BR>> Dear all:<BR>> I'm dealing with a big system (118 total atoms, 50 inequivalent <BR>> atoms), all went well with initialization, while for the SCF <BR>> calculation, it stops at the first lapw1 -c and the file <BR>> Lapw.e1321 contains the following information:<BR>> FORTRAN STOP LAPW0 END<BR>> Allocate error 494: Allocation of Array with extent of 92736900 failed<BR>> End of diagnostics<BR>> What does this mean? should I increase the NMATMAX(10000, <BR>> personally I think it is large enough for my system)? Any comment is <BR>> welcome.<BR>> Best regards<BR>> <BR>>
__________________________________________________<BR>> Do You Yahoo!?<BR>> Tired of spam? Yahoo! Mail has the best spam protection around<BR>> http://mail.yahoo.com<BR>> <BR><BR>-- <BR>Dr. Torsten Andersen TA-web: http://deep.at/myspace/<BR>AG Hübner, Department of Physics, Kaiserslautern University, and<BR>Condensed Matter Theory Group, Department of Physics, Uppsala University<BR>Web: http://www.fysik4.fysik.uu.se/ http://www.physik.uni-kl.de/ <BR><BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</BLOCKQUOTE><p>__________________________________________________<br>Do You Yahoo!?<br>Tired of spam? Yahoo! Mail has the best spam protection around <br>http://mail.yahoo.com