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huangj3 created page: ab initio molecular dynamics benchmarking authored by Huang, Jingsong's avatar Huang, Jingsong
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ab-initio-molecular-dynamics-benchmarking.md
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different KPAR and NPAR show the following tabulated "User time different KPAR and NPAR show the following tabulated "User time
(sec)&quot; and &quot;Elapsed time (sec)&quot;.</p> (sec)&quot; and &quot;Elapsed time (sec)&quot;.</p>
NSIM=4 (NSIM=4, LSCALAPACK=.FALSE., LSCALU=.FALSE.)
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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