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<DIV><FONT color=#000080 size=2 face=Verdana>Hi all</FONT></DIV>
<DIV> </DIV>
<DIV class=editable>In Gromacs-4.5 new features, there're</DIV>
<DIV>"Running on a multi-core node now uses thread-based parallelization </DIV>
<DIV>to automatically spawn the optimum number of threads in the default build.
</DIV>
<DIV>MPI is now only required for parallelization over the network. "</DIV>
<DIV> </DIV>
<DIV>And in Gromacs-4.5 manual, mdurn options has:</DIV>
<DIV>"-nt (int 0 Number of threads to start (0 is guess)
)"</DIV>
<DIV>parameter.</DIV>
<DIV> </DIV>
<DIV>But when use "mdrun -h", the -nt does not exist.</DIV>
<DIV>So can the -nt option be used in mdrun? </DIV>
<DIV>And if can, how do I use thread based MPI in mdrun?</DIV>
<DIV>Can someone show me an mdrun execution example, please?</DIV>
<DIV> </DIV>
<DIV>Appreciate any help in advance! </DIV>
<DIV><FONT color=#000080 size=2 face=Verdana></FONT> </DIV>
<DIV><FONT color=#c0c0c0 size=2 face=Verdana>2010-09-08 </FONT></DIV><FONT
color=#000080 size=2 face=Verdana>
<HR style="WIDTH: 100px" align=left color=#b5c4df SIZE=1>
</FONT>
<DIV><FONT color=#c0c0c0 size=2 face=Verdana><SPAN>
<DIV>
<DIV><FONT size=2 face=Verdana></FONT>
<DIV> </DIV>
<DIV>Best </DIV>
<DIV> wishes！</DIV>
<DIV> </DIV>
<DIV>Ji Xu</DIV>
<DIV></DIV>
<DIV>The State Key Laboratory of Multiphase Complex System</DIV>
<DIV>Institute of Process Engineering</DIV>
<DIV>Chinese Academy of Sciences</DIV>
<DIV>Beijing 100190, China</DIV>
<DIV>Tel.: +86 10 8262 3713-804 </DIV></DIV></DIV></SPAN></FONT></DIV>
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