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<DIV><FONT size=2 face=±¼¸²>Hello!</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>I'm doing a simple REMD test with 4
replicas.</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>Time step : 2 fs</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>Exchange : every 500fs</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²></FONT> </DIV>
<DIV><FONT size=2 face=±¼¸²>md_0.tpr md_1.tpr md_2.tpr md_3.tpr </FONT></DIV>
<DIV><FONT size=2 face=±¼¸²></FONT> </DIV>
<DIV><FONT size=2 face=±¼¸²>mpiexec(or mpirun) -np 4 mdrun_mpi_d -deffnm md_
-multi 4 -replex 200</FONT></DIV>
<DIV> <FONT size=2 face=±¼¸²>I got a error message.</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²></FONT> </DIV>
<DIV><FONT size=2 face=±¼¸²>##error##</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>1000000 steps, 2000.0 ps.<BR>step 600 rank
3 in job 10 localhost.localdomain_50305 caused collective
abort of all ranks<BR> exit status of rank 3: killed by signal 11 <BR>rank
2 in job 10 localhost.localdomain_50305 caused collective
abort of all ranks<BR> exit status of rank 2: killed by signal 11
</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²></FONT> </DIV>
<DIV><FONT size=2 face=±¼¸²>Using gmx4.0.7 , It works fine.</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>Is this bug in gmx-4.5 beta ?</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>In log files, no error message were
found.</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>gmx-4.5 beta3 was compiled with icc 11.0</FONT></DIV>
<DIV><FONT size=2 face=±¼¸²>and mpich2-1.2.1p1.</FONT></DIV>
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