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<p class=MsoNormal align=left style='text-align:left;line-height:normal;
text-autospace:none'><font size=2 face=Arial><span lang=EN-US style='font-size:
10.0pt;font-family:Arial'>Dear Molpro community,<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> I am using the
trial version of molpro to perform CCSD(T) computations on some Ruthenium
complexes. I have a problem running molpro with large amount of memory set 400
Mw (as required for CCSD(T) calculations). Although I have 4 Gb of RAM on my
computer, it seems that only 2 Gb might be used by the program. There is
obviously a system problem, but I am not able to find an adequate solution for
it. Browsing the errors reported on the internet, I found the same problem reported
previously (for example: </span></font><font size=2 face=Arial><span lang=DE
style='font-size:10.0pt;font-family:Arial'><a
href="http://www.ccl.net/chemistry/resources/messages/2005/09/03.006-dir/index.html"><span
lang=EN-US>http://www.ccl.net/chemistry/resources/messages/2005/09/03.006-dir/index.html</span></a></span></font><font
size=2 face=Arial><span lang=EN-US style='font-size:10.0pt;font-family:Arial'>
) and I think you could have a solution for me. The original error is: <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> ****<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'>
/opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe, len=48<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> -master, len=7<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'>
localhost.localdomain, len=24<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> </span></font><font
size=2 face=Arial><span lang=DE style='font-size:10.0pt;font-family:Arial'>56736,
len=5<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span lang=DE
style='font-size:10.0pt;font-family:Arial'> 1, len=1<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span lang=DE
style='font-size:10.0pt;font-family:Arial'> 1, len=1<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span lang=DE
style='font-size:10.0pt;font-family:Arial'> 0, len=1<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span lang=DE
style='font-size:10.0pt;font-family:Arial'> 0, len=1<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span lang=DE
style='font-size:10.0pt;font-family:Arial'> </span></font><font size=2
face=Arial><span lang=EN-US style='font-size:10.0pt;font-family:Arial'>Failure
in attempting memory allocation of 400230002 words (3053 Mbyte)<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> This error has
been generated by the operating system,<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> and may be the
result of insufficient system memory or paging space<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> In order to avoid
the problem in the MOLPRO context,<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> consider also
reducing the requested memory through<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> the MEMORY input
command, or the -m command line option<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> gmainv1 failure to
allocate 400230002<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> GLOBAL ERROR
fehler on processor 0 <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> tmp =
/home/chioresc/pdir//opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe.p<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> Creating:
host=localhost.localdomain, user=chioresc,<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> file=/opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe,
port=56736<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> ****<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> <o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> I am looking
forward to provide any further data you might need,<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span
lang=EN-US style='font-size:10.0pt;font-family:Arial'> </span></font><font
size=2 face=Arial><span lang=DE style='font-size:10.0pt;font-family:Arial'>Best
regards,<o:p></o:p></span></font></p>
<p class=MsoNormal align=left style='text-align:left;text-indent:0in;
line-height:normal;text-autospace:none'><font size=2 face=Arial><span lang=DE
style='font-size:10.0pt;font-family:Arial'> Ion Chiorescu<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-US style='font-size:
10.0pt;line-height:150%;font-family:Arial'><o:p> </o:p></span></font></p>
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