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huangj3 created page: ab initio molecular dynamics benchmarking authored by Huang, Jingsong's avatar Huang, Jingsong
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...@@ -250,54 +250,42 @@ normal'><o:p>&nbsp;</o:p></p> ...@@ -250,54 +250,42 @@ normal'><o:p>&nbsp;</o:p></p>
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>53.5<o:p></o:p></p>
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>61.1<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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...@@ -562,54 +550,42 @@ normal'><o:p>&nbsp;</o:p></p> ...@@ -562,54 +550,42 @@ normal'><o:p>&nbsp;</o:p></p>
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>64.1<o:p></o:p></p>
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<tr style='mso-yfti-irow:11'> <tr style='mso-yfti-irow:11'>
...@@ -874,54 +850,42 @@ normal'><o:p>&nbsp;</o:p></p> ...@@ -874,54 +850,42 @@ normal'><o:p>&nbsp;</o:p></p>
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>112.8<o:p></o:p></p>
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>70.2/<o:p></o:p></p> normal'>70.2/73.4<o:p></o:p></p>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>73.4<o:p></o:p></p>
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>58.5<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>57.1<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>60.6<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<tr style='mso-yfti-irow:17'> <tr style='mso-yfti-irow:17'>
...@@ -1186,54 +1150,42 @@ normal'><o:p>&nbsp;</o:p></p> ...@@ -1186,54 +1150,42 @@ normal'><o:p>&nbsp;</o:p></p>
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>79.6<o:p></o:p></p>
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<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>80.9<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
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</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'> mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>68.5/<o:p></o:p></p> normal'>68.5/71.1<o:p></o:p></p>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>71.1<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'> mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>73.2/<o:p></o:p></p> normal'>73.2/75.8<o:p></o:p></p>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>75.8<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'> mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>70.8/<o:p></o:p></p> normal'>70.8/73.9<o:p></o:p></p>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>73.9<o:p></o:p></p>
</td> </td>
</tr> </tr>
<tr style='mso-yfti-irow:23'> <tr style='mso-yfti-irow:23'>
...@@ -1519,9 +1471,7 @@ normal'><o:p>&nbsp;</o:p></p> ...@@ -1519,9 +1471,7 @@ normal'><o:p>&nbsp;</o:p></p>
mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'> mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>65.6/<o:p></o:p></p> normal'>65.6/76.9<o:p></o:p></p>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>76.9<o:p></o:p></p>
</td> </td>
<td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none; <td width=90 valign=top style='width:67.5pt;border-top:none;border-left:none;
border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
...@@ -1779,9 +1729,7 @@ normal'><o:p>&nbsp;</o:p></p> ...@@ -1779,9 +1729,7 @@ normal'><o:p>&nbsp;</o:p></p>
mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'> mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'><span class=SpellE>Hermi</span>-<o:p></o:p></p> normal'><span class=SpellE>Error - non Hermitian</span>-<o:p></o:p></p>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>tian<o:p></o:p></p>
</td> </td>
<td width=79 valign=top style='width:59.15pt;border-top:none;border-left: <td width=79 valign=top style='width:59.15pt;border-top:none;border-left:
none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
...@@ -2135,9 +2083,7 @@ normal'><o:p>&nbsp;</o:p></p> ...@@ -2135,9 +2083,7 @@ normal'><o:p>&nbsp;</o:p></p>
mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'> mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height: <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'><span class=SpellE>Hermi</span>-<o:p></o:p></p> normal'><span class=SpellE>Error - non Hermitian</span>-<o:p></o:p></p>
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>tian<o:p></o:p></p>
</td> </td>
<td width=79 valign=top style='width:59.15pt;border-top:none;border-left: <td width=79 valign=top style='width:59.15pt;border-top:none;border-left:
none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
... ...
......