Alexey,<div><br></div><div>your not giving enough information. </div><div><br></div><div>What exactly is the error? What happens? Does it hang or does it crash with an error?</div><div><br></div><div>Roland<br><br><div class="gmail_quote">
On Fri, Mar 12, 2010 at 7:01 PM, Alexey Shvetsov <span dir="ltr"><<a href="mailto:alexxyum@gmail.com">alexxyum@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 all<br>
Seem like there is bug with continuation from checkpoint for gromacs 4.0.7<br>
Steps to reproduce<br>
1. submit parrallel job to pbs<br>
2. kill job<br>
3. try to resume from checkpoint<br>
<br>
relevant output from mdrun<br>
Reading checkpoint file md.cpt generated: Thu Mar 11 12:20:46 2010<br>
<br>
Loaded with Money<br>
<br>
Making 2D domain decomposition 16 x 7 x 1<br>
<br>
WARNING: This run will generate roughly 20607979313638129664 Mb of data<br>
<br>
starting mdrun 'Protein in water'<br>
500000 steps, 1000.0 ps (continuing from step 3377000, 6754.0 ps).<br>
<br>
nodetime = 0! Infinite Giga flopses!<br>
Parallel run - timing based on wallclock.<br>
<br>
<br>
<br>
--<br>
Best Regards,<br>
Alexey 'Alexxy' Shvetsov<br>
Petersburg Nuclear Physics Institute, Russia<br>
Department of Molecular and Radiation Biophysics<br>
Gentoo Team Ru<br>
Gentoo Linux Dev<br>
mailto:<a href="mailto:alexxyum@gmail.com">alexxyum@gmail.com</a><br>
mailto:<a href="mailto:alexxy@gentoo.org">alexxy@gentoo.org</a><br>
mailto:<a href="mailto:alexxy@omrb.pnpi.spb.ru">alexxy@omrb.pnpi.spb.ru</a><br>
<br>--<br>
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