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<DIV><FONT face=Verdana color=#000080 size=2>Thank you for your
replying.</FONT></DIV>
<DIV><FONT color=#000080>But after I make a "diff", I still have trouble to find
out the difference resulting in performance difference. For example, the data in
"G cutoff" and "Largest allocated arrays" and "Largest temporary arrays"
sections take exactly the same values. So, which parameter do you suggest
is candidate for performance difference?</FONT></DIV>
<DIV><FONT color=#000080>Hope for your suggestions,</FONT></DIV>
<DIV><FONT color=#000080>Best Wishes,</FONT></DIV>
<DIV><FONT color=#000080>Y.P.Wang</FONT></DIV>
<DIV><FONT face=Verdana color=#000080 size=2></FONT> </DIV>
<DIV><FONT face=Verdana color=#000080 size=2></FONT> </DIV>
<DIV><FONT face=Verdana color=#c0c0c0 size=2>2009-09-10 </FONT></DIV><FONT
face=Verdana color=#000080 size=2>
<HR style="WIDTH: 100px" align=left color=#b5c4df SIZE=1>
</FONT>
<DIV><FONT face=Verdana color=#c0c0c0 size=2><SPAN>shypirate</SPAN>
</FONT></DIV>
<HR color=#b5c4df SIZE=1>
<DIV><FONT face=Verdana size=2><STRONG>发件人：</STRONG> Paolo Giannozzi
</FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>发送时间：</STRONG> 2009-09-10 14:47:16
</FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>收件人：</STRONG> PWSCF Forum </FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>抄送：</STRONG> </FONT></DIV>
<DIV><FONT face=Verdana size=2><STRONG>主题：</STRONG> Re: [Pw_forum] performance
of occupation='fixed' and ='smearing' </FONT></DIV>
<DIV><FONT face=Verdana size=2></FONT> </DIV>
<DIV><FONT face=Verdana size=2>
<DIV></DIV>
<DIV>On Sep 10, 2009, at 5:03 , shypirate wrote:</DIV>
<DIV></DIV>
<DIV>> If I set occupation='smearing', it takes about 6 minutes for</DIV>
<DIV>> one diagonalization step, but 24 minutes for occupation='fixed'.</DIV>
<DIV>> I have set the same "nbnd" and "K_POINTS" for both.</DIV>
<DIV>> My question is, why is the performance difference?</DIV>
<DIV></DIV>
<DIV>make a "diff" between the two outputs and you will see why.</DIV>
<DIV></DIV>
<DIV>P.</DIV>
<DIV>---</DIV>
<DIV>Paolo Giannozzi, Dept of Physics, University of Udine</DIV>
<DIV>via delle Scienze 208, 33100 Udine, Italy</DIV>
<DIV>Phone +39-0432-558216, fax +39-0432-558222</DIV>
<DIV></DIV>
<DIV></DIV>
<DIV></DIV>
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