Hello all, A recent simulation has been running on a cluster for a couple of weeks. 5.something-ns in it crashed due to a hardware glitch. All perfectly understandable so far. The strange thing is, using tpbconv now results in a .tpr that crashes in the first step due to massive LINCS errors. Even if you use the option -time to take the simulation way back, to say 0.5ns when it ought to still be fine, it still crashes. Other simulations on the same hardware+software are running fine, other restarts from other jobs crashing at the same time have worked fine, so it doesn't look like a bug. Any suggestions as to why LINCS errors could suddenly now prevent the simulation from running *any* of the steps that it previously ran just fine? I just want a hint as to what we could have missed, really.
Alan Dodd UoB ____________________________________________________________________________________ The fish are biting. Get more visitors on your site using Yahoo! Search Marketing. http://searchmarketing.yahoo.com/arp/sponsoredsearch_v2.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
