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<DIV dir=ltr><FONT face=Arial color=#000000 size=2>Dear Molpro Users,</FONT></DIV>
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<DIV dir=ltr><FONT face=Arial size=2>I am trying to run a CCSD(T) calculation that involves 288 basis functions. My computer has 8GB of RAM, a 146GB of disk and 8 cores. I cannot seem to get the calculation to run properly and I suspect that it is because of the way that I am trying to specify the memory.<BR><BR>I have tried adding the "memory" keyword directly into the input file, as well as using the -m flag when running the job (since I am running this interactively anyway). I noticed that there is also a -G flag. Can you tell me how to properly specify the correct amount of memory for this job given my available resources?</FONT></DIV><FONT face=Arial size=2>
<DIV dir=ltr><BR>I greatly appreciate your responses!<BR></DIV>
<DIV dir=ltr>Stacey<BR></DIV></FONT>
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<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><A name=_MailAutoSig><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">*************************</SPAN><SPAN style="mso-no-proof: yes"><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></A></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">Dr. Stacey Wetmore</SPAN></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes"></SPAN></SPAN><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">Associate Professor</SPAN></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes"></SPAN></SPAN><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">Department of Chemistry and Biochemistry</SPAN></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">University of Lethbridge</SPAN></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">4401 University Drive, Lethbridge, AB, Canada, T1K 3M4</SPAN></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">Phone: (403) 329-2323</SPAN></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">Fax: (403) 329-2057</SPAN></SPAN></DIV>
<DIV class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-bookmark: _MailAutoSig"><SPAN style="FONT-SIZE: 10pt; FONT-FAMILY: Arial; mso-no-proof: yes">E-mail: stacey.wetmore@uleth.ca</SPAN></SPAN></DIV></FONT></DIV></DIV></BODY></HTML>