ab-initio-molecular-dynamics-benchmarking.md

@@ -2,6 +2,10 @@
 different KPAR and NPAR show the following tabulated "User time
 (sec)&quot; and &quot;Elapsed time (sec)&quot;.</p>
 
+NSIM=4
+LSCALAPACK=.FALSE.
+LSCALU=.FALSE.
+
 <p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
 normal'>P3HT<o:p></o:p></p>