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On 6/03/2012 2:58 AM, shilpa yadahalli wrote:
<blockquote
cite="mid:1330963092.17061.YahooMailNeo@web162806.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:12pt">
<div>Dear gmx-users,</div>
<div><br>
</div>
<div>I'm facing "segmentation fault error" while *mdrun*.</div>
<div>When i checked my md.log file, after 440'th step the
kinetic energy energy increases by tenfold and hence the
temperature (temp - 6.80141e+01K to 2.21829e+02K). all other
values, potential energy etc. are not changing much so i guess
this is the cause for fatal error. But I can't figure out the
reason behind sudden increase in temperature. <br>
</div>
<div><br>
</div>
<div><span style="text-decoration: underline;">I'm using
following options in my mdp file:</span><br>
</div>
<div>;Temperature coupling<br>
tc-grps = system<br>
tau_t = 1.0 ; Temperature coupling time constant. <br>
ref_t = <span style="font-weight: bold;"> 50.0</span> ; In
reduced units<br>
;Pressure coupling<br>
Pcoupl = no<br>
;Velocity generation<br>
gen_vel = yes<br>
gen_temp = <span style="font-weight: bold;">50.0</span><br>
</div>
<div><br>
</div>
<div>Can anybody suggest me, if i'm missing something (to take
care of)? </div>
<br>
</div>
</blockquote>
<br>
You will need to look at the end of the .log and/or stdout file to
know, but probably this is what is happening <a
href="http://www.gromacs.org/Documentation/Terminology/Blowing_Up">http://www.gromacs.org/Documentation/Terminology/Blowing_Up</a><br>
<br>
Mark<br>
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