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<DIV><FONT color=#000080 size=2 face=Verdana>
<DIV>Hi all:</DIV>
<DIV> </DIV>
<DIV>It is a very good news that Gromacs-4.5 is coming soon!</DIV>
<DIV> </DIV>
<DIV></DIV>
<DIV>I have two problems not very clearly.</DIV>
<DIV></DIV>
<DIV>First, Gromacs-4.5 can use GPU to accelerate simulations. But in </DIV>
<DIV>the "Limitations", it's said that "Multiple GPU cards are not supported".</DIV>
<DIV>So can't I accelerate the simulations with parallel mdrun? </DIV>
<DIV> </DIV>
<DIV></DIV>
<DIV>Second, in Gromacs-4.5 new features, it's said:</DIV>
<DIV>"Running on multi-core nodes now automatically uses thread-based parallelization".</DIV>
<DIV>If there're two nodes with 8 CPU cores each, and I use all of the CPU cores, </DIV>
<DIV>is there 8 threads other than 8 MPI processes in one node? </DIV>
<DIV>If true, do the 8 threads in one node share with one large memory? </DIV>
<DIV>And what is the parallelization scheme inner the node and inter the nodes?</DIV>
<DIV> </DIV>
<DIV></DIV>
<DIV>Appreciate any advice in advance!</DIV></FONT></DIV>
<DIV><FONT color=#000080 size=2 face=Verdana></FONT> </DIV>
<DIV><FONT color=#000080 size=2 face=Verdana></FONT> </DIV>
<DIV><FONT color=#c0c0c0 size=2 face=Verdana>2010-08-31 </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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