<br><br><div class="gmail_quote">On Sat, Sep 10, 2011 at 5:05 PM, lina <span dir="ltr"><<a href="mailto:lina.lastname@gmail.com">lina.lastname@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Hi,<br>
<div class="gmail_quote"><div class="im"><br>My job terminated due to the storage out of the quote given by administrator, <br><br>here the md.log is unusual, so when I resume the job, the results won't append on it. but still running...<br>
<br>Here is the tail of md.log,<br>
<br> DD step <a href="tel:31424999" value="+6531424999" target="_blank">31424999</a> load imb.: force 20.8% pme mesh/force 1.936<br><br> Step Time Lambda<br> <a href="tel:31425000" value="+6531425000" target="_blank">31425000</a> 62850.00000 0.00000<br>
<br><...snip...><br><br>DD step <a href="tel:31425999" value="+6531425999" target="_blank">31425999</a> load imb.: force 23.7% pme mesh/force 1.923<br>
<br> Step Time Lambda<br> <a href="tel:31426000" value="+6531426000" target="_blank">31426000</a> 62852.00000 0.00000<br><br><...snip...><br> Kinetic En. Total Energy Temperature [lina@hostname<br>
<br><br>You may notice that the [lina@hostname] did not start in a new line.<br>
<br></div>there is md_step31441735.cpt<br>and md_prev.cpt<br><br>what is the final step stored in the md_prev.cpt? How do I check ?</div></blockquote><div><br>gmxcheck shows:<br><br>Last frame -1 time 62400.328 <br>
<br></div><div>End of file on md.xtc but not on md_prev.cpt<br><br>Thanks,<br><br> </div><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div class="gmail_quote">
<div class="im"><br><br></div></div></blockquote></div><br>