ab-initio-molecular-dynamics-benchmarking.md

@@ -42,7 +42,7 @@ style='mso-spacerun:yes'>   </span>4<span style='mso-spacerun:yes'>
 <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
 normal'><o:p>&nbsp;</o:p></p>
 
-<p class=MsoNormal>On ccsd12q:</p>
+<p class=MsoNormal>On ccsd12q, with 10x12 = 120 cores:</p>
 
 <table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0
  style='margin-left:5.4pt;border-collapse:collapse;border:none;mso-border-alt:
@@ -1494,7 +1494,7 @@ normal'><o:p>&nbsp;</o:p></p>
 
 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
 
-<p class=MsoNormal>On Cades condo:</p>
+<p class=MsoNormal>On Cades condo, with 10x32 = 320 cores:</p>
 
 <table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0
  style='margin-left:5.4pt;border-collapse:collapse;border:none;mso-border-alt:
@@ -1752,7 +1752,7 @@ normal'><o:p>&nbsp;</o:p></p>
   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'>
   <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
-  normal'>71.9/76.7<o:p></o:p></p>
+  normal'><B>71.9/76.7</B><o:p></o:p></p>
   </td>
   <td width=79 valign=top style='width:59.2pt;border-top:none;border-left:none;
   border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
@@ -2094,7 +2094,7 @@ normal'><o:p>&nbsp;</o:p></p>
   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'>
   <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
-  normal'>79.6/82.6<o:p></o:p></p>
+  normal'><B>79.6/82.6</B><o:p></o:p></p>
   </td>
   <td width=79 valign=top style='width:59.2pt;border-top:none;border-left:none;
   border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
@@ -2436,7 +2436,7 @@ normal'><o:p>&nbsp;</o:p></p>
   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'>
   <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
-  normal'>39.2/42.0<o:p></o:p></p>
+  normal'><B>39.2/42.0</B><o:p></o:p></p>
   </td>
   <td width=79 valign=top style='width:59.2pt;border-top:none;border-left:none;
   border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
@@ -2785,7 +2785,7 @@ normal'><o:p>&nbsp;</o:p></p>
   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'>
   <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
-  normal'>24.7/26.4<o:p></o:p></p>
+  normal'><B>24.7/26.4</B><o:p></o:p></p>
   </td>
   <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;