huangj3 created page: ab initio molecular dynamics benchmarking authored by Huang, Jingsong's avatar Huang, Jingsong
...@@ -4,6 +4,7 @@ different KPAR and NPAR show the following tabulated "User time ...@@ -4,6 +4,7 @@ different KPAR and NPAR show the following tabulated "User time
(NSIM=4, LSCALAPACK=.FALSE., LSCALU=.FALSE.) (NSIM=4, LSCALAPACK=.FALSE., LSCALU=.FALSE.)
<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'>P3HT<o:p></o:p></p> normal'>P3HT<o:p></o:p></p>
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