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Hi,<br><br>As mdrun will tell you in stderr and md.log when you try continuing,<br>you will have exact continuation, but not binary identical (which you would<br>not have anyhow if you use dynamic load balancing).<br>Exact continuation mean perfect physical and chemical reliability.<br><br>Berk<br><br><br>> Date: Thu, 2 Apr 2009 13:28:21 +0200<br>> From: spitaleri.andrea@hsr.it<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] continuing a MD simulation on different architectures<br>> <br>> Dear all,<br>> is there any problem to continue (extend) a simulation using a different architecture hardware?<br>> I have a set of simulations coming from xt4 and xt5 architecture (eepc and csc clusters) and I would<br>> like to extend the simulation step on my cluster (intel) using the previous cpt file and generating<br>> the new tpr on my cluster. I did it and it runs, however I was wondering about the physical and<br>> chemical reliability.<br>> <br>> thanks in advance<br>> <br>> Regards<br>> <br>> andrea<br>> <br>> -- <br>> -------------------------------<br>> Andrea Spitaleri PhD<br>> Dulbecco Telethon Institute<br>> c/o DIBIT Scientific Institute<br>> Biomolecular NMR, 1B4<br>> Via Olgettina 58<br>> 20132 Milano (Italy)<br>> http://biomolecularnmr.ihsr.dom/<br>> Tel: 0039-0226434348/5622/3497/4922<br>> Fax: 0039-0226434153<br>> -------------------------------<br>> <br>> -----------------------------------------------------------------<br>> <br>> La tua mano puo' lasciare un segno importante.<br>> Dona il tuo 5 per mille al San Raffaele di Milano.<br>> <br>> E' SEMPLICE E NON COSTA NULLA.<br>> Basta indicare nell'apposito riquadro della dichiarazione dei redditi "Finanziamento della ricerca sanitaria"<br>> il codice fiscale della Fondazione Centro S. Raffaele del Monte Tabor:<br>> 03 06 42 80 153 e ricordarsi di firmare.<br>> Per saperne di piu': 5permille@hsr.it o vai sul sito http://www.5xmille.org.<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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