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On 13/07/2011 7:32 PM, Luke Goodsell wrote:
<blockquote
cite="mid:CAF=S612U+LENbZv==jnj73onPjGSA+Czzd53nSBk442i_tAUNA@mail.gmail.com"
type="cite">Hi Per,
<div><br>
</div>
<div>I did as you suggested and it's just reached step 15000 and
is still going. Many thanks indeed!</div>
</blockquote>
<br>
I'd still be skeptical. 15000 steps is a long time for the
trajectories to diverge. If you can run to 14550 with SSE and stop,
and then show that continuing with SSE explodes and unoptimized
kernels do not, then you have serious evidence of a bug. Diagnosing
the cause of such a bug will need such a test case, anyway.<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAF=S612U+LENbZv==jnj73onPjGSA+Czzd53nSBk442i_tAUNA@mail.gmail.com"
type="cite">
<div>Is there something I can do to extract useful debugging
information to submit to redmine?</div>
<div><br>
</div>
<div>Luke<br>
<br>
<div class="gmail_quote">On Wed, Jul 13, 2011 at 10:00, Per
Larsson <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:per.larsson@sbc.su.se">per.larsson@sbc.su.se</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt
0.8ex; border-left: 1px solid rgb(204, 204, 204);
padding-left: 1ex;">
Hi!<br>
<br>
Could you try running with GMX_NOOPTIMIZEDKERNELS=1, to see
if this could potentially be a bug in the sse code (I
noticed nb_kernel410_x86_64_sse in your error message.<br>
<br>
Thanks<br>
/Per<br>
<br>
<br>
<br>
<br>
13 jul 2011 kl. 09.35 skrev Luke Goodsell:<br>
<div class="im"><br>
> As the subject suggests, I have a simulation that
runs correctly on my iMac, but fails when I try to run it
on a cluster, and I am hoping someone may be able to
suggest which things to try first to resolve the issue.<br>
><br>
<br>
</div>
<div>
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