Hi Berk, Thanks for your quick answer. Are the modifications done only in nb_generic.c, so I could 'patch' my altered version of 4.0.5?
Pieter > > Hi, > > This is a bug which I fixed in 4.0.7 (but somehow it is missing from the > revision list). > > Berk > >> Date: Tue, 12 Jan 2010 12:11:23 +0100 >> From: [email protected] >> To: [email protected] >> Subject: [gmx-users] Triggering generic kernel causes LINCS warnings >> >> Hello, >> >> I'm trying to simulate a water box with protein and drug. Having set up >> the simulation, starting mdrun causes no problems on its own. However, >> after setting the GMX_NB_GENERIC environment variable and restarting the >> simulation, it crashes at step 20 with too many LINCS warnings. >> Disabeling >> the environment variable makes mdrun run normal again. >> >> Where is this different behavior coming from and is this solvable? >> >> Using Gromacs 4.0.5. Attached the screen output and the log file. >> >> Thanks in advance, >> >> >> Pieter van 't Hof >> Graduate student Utrecht University > > _________________________________________________________________ > Express yourself instantly with MSN Messenger! Download today it's FREE! > http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/-- > gmx-users mailing list [email protected] > http://lists.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 -- gmx-users mailing list [email protected] http://lists.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
