<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
On 28/02/2012 3:50 PM, priya thiyagarajan wrote:
<blockquote
cite="mid:CAEuVTxB=Uq7uixYoM6Xf8g-pUGjQK7_4r-o0aiG_nk+gVgBZRw@mail.gmail.com"
type="cite"><font><span
style="font-family:arial,helvetica,sans-serif">hello sir,</span><br
style="font-family:arial,helvetica,sans-serif">
<br style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">while
performing simulation for 30ns, because of queue time limit my
run terminated at 11.6ns.. then i extended my simulation using
mdrun as you suggest..</span><br
style="font-family:arial,helvetica,sans-serif">
<br style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">while doing
so i got error as</span><br
style="font-family:arial,helvetica,sans-serif">
<br style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">Fatal
error:</span><br
style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">Failed to
lock: md20.log. Function not implemented.</span><br
style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">For more
information and tips for troubleshooting, please check the
GROMACS</span><br
style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">website at
<a moz-do-not-send="true"
href="http://www.gromacs.org/Documentation/Errors">http://www.gromacs.org/Documentation/Errors</a></span><br
style="font-family:arial,helvetica,sans-serif">
<br style="font-family:arial,helvetica,sans-serif">
<br style="font-family:arial,helvetica,sans-serif">
<span style="font-family:arial,helvetica,sans-serif">when i
searched in mailing list i got one solution to this as</span><br
style="font-family:arial,helvetica,sans-serif">
</font><font style="font-family:arial,helvetica,sans-serif"
size="2"><br>
</font>
<pre><font style="font-family:arial,helvetica,sans-serif" size="2">as a workaround you could run with -noappend and later
concatenate the output files. Then you should have no
p<font>roblems with locking</font></font><font><span style="font-family:arial,helvetica,sans-serif">.
</span>
</font><font style="font-family:arial,helvetica,sans-serif" size="2">
</font><font size="4"><font style="font-family: times new roman,serif;" size="2">now when i tried using -noappend my simulation is working,.
is it correct??
</font></font></pre>
</blockquote>
<br>
Maybe. We can't know.<br>
<br>
<blockquote
cite="mid:CAEuVTxB=Uq7uixYoM6Xf8g-pUGjQK7_4r-o0aiG_nk+gVgBZRw@mail.gmail.com"
type="cite">
<pre><font size="4"><font style="font-family:times new roman,serif" size="2">
Also because my simulation is terminated because of queue limit i didnt get my gro file..
did i get my gro file at the end of simulation without any error?</font></font>
</pre>
</blockquote>
<font size="4"><br>
I don't understand what you are asking. See </font><a
href="http://www.gromacs.org/Documentation/How-tos/Extending_Simulation">http://www.gromacs.org/Documentation/How-tos/Extending_Simulation</a>
for general discussion of this topic.<br>
<br>
Mark<br>
</body>
</html>