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<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Hi,</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>I am doing some GROMACS simulation test runs on AMD Opteron
246 nodes cluster. I ran the job on one node and two nodes.<br>
The trajectories of the one node and two nodes jobs are slightly different,
even though the initial system was identical in all respects for both the jobs
(one node and two nodes) as seen from the rmsd’s and rmsf’s for the
protein, over a period of less than 1ns (600 ps). </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Can anyone tell me whether this is a hardware or software
problem?</span></font></p>
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font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Thanks</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial'>Indira </span></font></p>
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font-family:Arial'> </span></font></p>
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style='font-size:12.0pt;color:teal;font-weight:bold'>W1095 Biomedical Science Tower</span></font></i></b></em></p>
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style='font-size:12.0pt;color:teal;font-style:italic'>200 Lothrop Street</span></font></i></b></strong></p>
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style='font-size:12.0pt;color:teal;font-style:italic'>Pittsburgh</span></font></i></b></strong><strong><b><i><font
color=teal face="Times New Roman"><span style='color:teal;font-style:italic'> PA 15261</span></font></i></b></strong></p>
<p class=MsoAutoSig><strong><b><i><font size=3 color=teal face="Times New Roman"><span
style='font-size:12.0pt;color:teal;font-style:italic'>voice: 412 648 7767</span></font></i></b></strong></p>
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style='font-size:12.0pt;color:teal;font-style:italic'>fax: 412 648 3163</span></font></i></b></strong></p>
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