RE: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-16 Thread Berk Hess
; From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] Unexplained crashes with Gromacs-4.0 > > Hi, > > I think I had a similar error in GROMACS 3.3.1 (I posted it in June to > the User List > http://www.gromacs.org/pipermail/gmx-users/2008-June

Re: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-16 Thread Till Rudack
to do with the pressure coupling? Till Berk Hess wrote: > Date: Tue, 14 Oct 2008 07:19:45 -0400 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] Unexplained crashes with

RE: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-16 Thread Berk Hess
omacs.org > Subject: Re: [gmx-users] Unexplained crashes with Gromacs-4.0 > > > > Berk Hess wrote: > > > > > If you run in parallel, the dynamic load balancing can affective > > reprodibility. > > You can turn it off with -dlb no > > I have a si

Re: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-15 Thread Justin A. Lemkul
Berk Hess wrote: If you run in parallel, the dynamic load balancing can affective reprodibility. You can turn it off with -dlb no I have a situation now that, without fail, has crashed with the same issues I've described before while using "-dlb auto." Using "-dlb no" the run does not

RE: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-14 Thread Berk Hess
> Date: Tue, 14 Oct 2008 07:19:45 -0400 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: Re: [gmx-users] Unexplained crashes with Gromacs-4.0 > > > > Berk Hess wrote: > > Hi, > > > > I don't really know what could be the pro

Re: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-14 Thread Justin A. Lemkul
> Date: Mon, 13 Oct 2008 16:55:20 -0400 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: [gmx-users] Unexplained crashes with Gromacs-4.0 > > > Hi, > > I've gotten the following error with two of my simulation systems. Usually this > wei

Re: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-14 Thread David van der Spoel
- > Date: Mon, 13 Oct 2008 16:55:20 -0400 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: [gmx-users] Unexplained crashes with Gromacs-4.0 > > > Hi, > > I've gotten the following error with two of my simulation systems. Usually this >

Re: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-14 Thread Justin A. Lemkul
since even I can't fully reproduce it. -Justin Berk > Date: Mon, 13 Oct 2008 16:55:20 -0400 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: [gmx-users] Unexplained crashes with Grom

RE: [gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-14 Thread Berk Hess
, 13 Oct 2008 16:55:20 -0400 > From: [EMAIL PROTECTED] > To: gmx-users@gromacs.org > Subject: [gmx-users] Unexplained crashes with Gromacs-4.0 > > > Hi, > > I've gotten the following error with two of my simulation systems. Usually > this > weird "vari

[gmx-users] Unexplained crashes with Gromacs-4.0

2008-10-13 Thread Justin A. Lemkul
Hi, I've gotten the following error with two of my simulation systems. Usually this weird "variable ci" error means the system is unstable, and I've seen it before when I've done a poor job of equilibrating. But now I'm seeing it a long time into my simulations (after 48 ns in one case, 60