For example;<br><br>grompp -f run.mdp -p topol.top -c pr.gro -n index.ndx -o run.tpr<br>mdrun -v -deffnm run<br><br>...<br>15000000 steps, 30000.0 ps.<br>step 100, will finish Sun Nov 27 19:11:00 2011<br><br>Sometimes it shows as the following:<br>
15000000 steps, 30000.0 ps.<br>That is, there is not "will finish Sun Nov 27 19:11:00 2011" sentence <br><br><br><div class="gmail_quote">2011/10/19 Emanuel Birru <span dir="ltr"><<a href="mailto:Emanuel.Birru@monash.edu">Emanuel.Birru@monash.edu</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">You can get them in the log file. (At the bottom)<br>
<br>
Cheers,<br>
<br>
<br>
<br>
<br>
<br>
<br>
<br>
=========================================================<br>
Emanuel Birru<br>
PhD Candidate<br>
<br>
Faculty of Pharmacy and Pharmaceutical Sciences<br>
Monash University (Parkville Campus)<br>
381 Royal Parade, Parkville<br>
Victoria 3052, Australia<br>
<br>
Tel: Int <a href="tel:%2B%2061%203%209903%209187" value="+61399039187">+ 61 3 9903 9187</a><br>
E-mail: <a href="mailto:emanuel.birru@monash.edu">emanuel.birru@monash.edu</a><br>
<a href="http://www.pharm.monash.edu.au" target="_blank">www.pharm.monash.edu.au</a><br>
<div class="im"><br>
-----Original Message-----<br>
From: <a href="mailto:gmx-users-bounces@gromacs.org">gmx-users-bounces@gromacs.org</a> [mailto:<a href="mailto:gmx-users-bounces@gromacs.org">gmx-users-bounces@gromacs.org</a>] On Behalf Of Mark Abraham<br>
Sent: Wednesday, 19 October 2011 3:08 PM<br>
To: Discussion list for GROMACS users<br>
Subject: Re: [gmx-users] calculation time<br>
<br>
On 19/10/2011 5:26 AM, ahmet yıldırım wrote:<br>
</div><div class="im">> Dear users,<br>
><br>
> Sometimes, in the end ( in production simulation), Gromacs doesn't<br>
> show calculation/finish time on screen, why? How can we show it?<br>
<br>
</div><div><div></div><div class="h5">I don't know what you mean.<br>
<br>
Mark<br>
--<br>
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Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/Support/Mailing_Lists/Search</a> before posting!<br>
Please don't post (un)subscribe requests to the list. Use the<br>
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Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/Support/Mailing_Lists</a><br></blockquote></div><br><br clear="all"><br>-- <br>Ahmet YILDIRIM<br>