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<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN
lang=ES-TRAD><?xml:namespace prefix = o ns =
"urn:schemas-microsoft-com:office:office" /><o:p><FONT face="Times New Roman"
size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>Hello:</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>I wonder if you could help with an execution error
of PWscf. </FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>I am performing a Lambda calculation for magnesium
and whenever the output of nscf has more than 9999 k-points (see below) The
program stops without aborting the process.</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>Helpful data:</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>I am running on a Alpha server GS1280 with 8 cpu-s
1,2 Ghz. 10Gb RAM and has Tru64 Unix 5.1</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD
style="COLOR: maroon"><FONT size=3><FONT face="Times New Roman">This is the
error file.<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>stty: tcgetattr: Not a
typewriter</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>forrtl: error (72): floating
overflow</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>0: __FINI_00_remove_gp_range [0x3ff81a6de38]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>1: __FINI_00_remove_gp_range [0x3ff81a76a20]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>2: __FINI_00_remove_gp_range [0x3ff800d5b90]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>3: WFCINIT_K ldreadst: WARNING iline index(817112) exceeds
ilineMax(817112)</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>forrtl: error (78): process killed
(SIGTERM)</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>0: __FINI_00_remove_gp_range [0x3ff81a6de38]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>1: __FINI_00_remove_gp_range [0x3ff81a772c0]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>2: __FINI_00_remove_gp_range [0x3ff800d5b90]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>3: __FINI_00_remove_gp_range [0x3ff81ac9bcc]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>4: __FINI_00_remove_gp_range [0x3ff81aaf3c0]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>5: __FINI_00_remove_gp_range [0x3ff81a6de38]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>6: __FINI_00_remove_gp_range [0x3ff81a76a20]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>7: __FINI_00_remove_gp_range [0x3ff800d5b90]</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes">
</SPAN>8: WFCINIT_K ldreadst: WARNING iline index(817112) exceeds
ilineMax(817112)</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD
style="COLOR: maroon"><FONT size=3><FONT face="Times New Roman">This is the
output file of the non-self consistent
calculus:<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN
style="mso-spacerun: yes">
</SPAN>k(9997) = (<SPAN style="mso-spacerun: yes">
</SPAN>0.2777778<SPAN style="mso-spacerun: yes"> </SPAN>-0.4169752<SPAN
style="mso-spacerun: yes"> </SPAN>0.0000000), wk =<SPAN
style="mso-spacerun: yes"> </SPAN>0.0003429</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN
style="mso-spacerun: yes">
</SPAN>k(9998) = (<SPAN style="mso-spacerun: yes">
</SPAN>0.4444445<SPAN style="mso-spacerun: yes"> </SPAN>-0.0641500<SPAN
style="mso-spacerun: yes"> </SPAN>0.1026905), wk =<SPAN
style="mso-spacerun: yes"> </SPAN>0.0000000</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN
style="mso-spacerun: yes">
</SPAN>k(9999) = (<SPAN style="mso-spacerun: yes"> </SPAN>-0.2777778<SPAN
style="mso-spacerun: yes"> </SPAN>-0.4169752<SPAN
style="mso-spacerun: yes"> </SPAN>0.0000000), wk =<SPAN
style="mso-spacerun: yes"> </SPAN>0.0003429</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN
style="mso-spacerun: yes">
</SPAN>k(****) = (<SPAN style="mso-spacerun: yes"> </SPAN>-0.1111111<SPAN
style="mso-spacerun: yes"> </SPAN>-0.0641500<SPAN
style="mso-spacerun: yes"> </SPAN>0.1026905), wk =<SPAN
style="mso-spacerun: yes"> </SPAN>0.0000000</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN
style="mso-spacerun: yes">
</SPAN>k(****) = (<SPAN style="mso-spacerun: yes">
</SPAN>0.5000000<SPAN style="mso-spacerun: yes"> </SPAN>-0.0320750<SPAN
style="mso-spacerun: yes"> </SPAN>0.0000000), wk =<SPAN
style="mso-spacerun: yes"> </SPAN>0.0003429</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
size=3><FONT face="Times New Roman"><SPAN
style="mso-spacerun: yes">
</SPAN>k(****) = (<SPAN style="mso-spacerun: yes">
</SPAN>0.6666667<SPAN style="mso-spacerun: yes">
</SPAN>0.3207502<SPAN style="mso-spacerun: yes"> </SPAN>0.1026905),
wk =<SPAN style="mso-spacerun: yes">
</SPAN>0.0000000</FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>Thank you very much!!</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><o:p><FONT
face="Times New Roman" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT size=3><FONT
face="Times New Roman"><SPAN lang=ES-TRAD>Aritz Leonardo ---> </SPAN><SPAN
class=MsoHyperlink><SPAN lang=ES-TRAD style="COLOR: navy"><A
href="mailto:swblelia@sw.ehu.es"><FONT
color=#000080>swblelia@sw.ehu.es</FONT></A></SPAN></SPAN><SPAN lang=ES-TRAD>
</SPAN></FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>Phd, student at Donostia International Physics
Center</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><SPAN lang=ES-TRAD><FONT
face="Times New Roman" size=3>phone (+34) 943015626)</FONT></SPAN></P>
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face="Times New Roman"
size=3> </FONT></o:p></SPAN></P></FONT></DIV></BODY></HTML>