Hi Matt<div><br></div><div>I resubmitted this slow run and at least for the initial timesteps, it has become much faster than old slow run and is in the normal range now. So it probably seems suited to your guess that system is running ok, file system was earlier slowing down for whatever reason. </div>
<div><br></div><div>I will check the progress and post it here in case I observe anything different. </div><div><br></div><div>Thanks</div><div>Chetan</div><div><br><div class="gmail_quote">On Sun, Jul 1, 2012 at 12:09 PM, Chetan Mahajan <span dir="ltr"><<a href="mailto:cheta...@gmail.com" target="_blank">cheta...@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 Matt<div><br></div><div>Thanks. I have instantaneous time per MD step printed in cp2k output file and it indeed shows that while for a normal run, it ranges from 7.5 to 10.5 seconds, but for this slow run, it is above 700-1000 seconds for some of the initial steps and then becomes fast down the road to the normal range except occasional slow downs to 45-60 seconds...</div>
<div><br></div><div>Thanks</div><div><span class="HOEnZb"><font color="#888888">Chetan</font></span><div><div class="h5"><br><br><div class="gmail_quote">On Sun, Jul 1, 2012 at 3:08 AM, Matt W <span dir="ltr"><<a href="mailto:MattWa...@gmail.com" target="_blank">MattWa...@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div>Not easily without more data.<br></div><div><br></div><div>The only simple thing (if your system if running stably) is the file system slowing down for whatever reason.</div>
<div>Are individual SCF (electronic) steps slowing down too?</div><div><br></div><div>Matt </div><div><div><br>On Saturday, June 30, 2012 10:38:10 PM UTC+1, Chetan Mahajan wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">Hi</div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
<br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">I am running AIMD simulations for one system using cp2k on a TACC lonestar machine. While it could complete 7900-8800 timesteps for most of the runs in 1 day on 180 cores, the timesteps completed dropped to 4100 in the recent run in the same time on same number of cores. While I do anticipate certain variation in the performance from run to run, this much variation is surprising. Is it so? Can you also speculate on the reasons?</div>
<div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif"><br></div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">
Thanks</div><div style="color:rgb(34,34,34);font-size:13px;font-family:arial,sans-serif">Chetan</div><br><div><br></div>-- <br>Chetan V Mahajan<br>PhD candidate, Ganesan Group<br>
Department of Chemical Engineering<br>The University of Texas at Austin<br><br>
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</font></span></blockquote></div><br><br clear="all"><div><br></div>-- <br>Chetan V Mahajan<br>PhD candidate, Ganesan Group<br>Department of Chemical Engineering<br>The University of Texas at Austin<br><br>
</div></div></div>
</blockquote></div><br><br clear="all"><div><br></div>-- <br>Chetan V Mahajan<br>PhD candidate, Ganesan Group<br>Department of Chemical Engineering<br>The University of Texas at Austin<br><br>
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