list for GROMACS users
Subject: Re: [gmx-users] Error: Lost Particles while sorting
On Thu, Mar 31, 2016 at 9:25 PM, Smith, Micholas D.
wrote:
> Hi,
>
> Good to know. I'll ask the supercomputing folks to update gromacs from
> 5.0.4 to 5.0.7 at the next scheduled downtime.
>
maillist.sys.kth.se <
> > gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Mark
> > Abraham
> > Sent: Thursday, March 31, 2016 2:57 PM
> > To: gmx-us...@gromacs.org
> > Subject: Re: [gmx-users] Error: Lost Particles while sorting
> >
> >
016 3:22 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Error: Lost Particles while sorting
Hi,
I was thinking of http://redmine.gromacs.org/issues/1153 but on general
principles that should not have showed up in 5.0. Nonetheless the early 5.0
versions had enough GPU-related issues that you
nter for Molecular Biophysics
>
>
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Mark
> Abraham
> Sent: Thursday, March 31, 2016 2:57 PM
> To: gmx-us...@grom
ysics
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of Mark Abraham
Sent: Thursday, March 31, 2016 2:57 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Error: Lost Particles while sorting
Hi,
Starting a new series of calculations on the earliest of a series of
Hi,
Starting a new series of calculations on the earliest of a series of patch
releases means you have chosen to accept all the bugs that have been fixed
since. ;-) This indeed looks like one of them. Get e.g. 5.0.7 installed.
Mark
On Thu, 31 Mar 2016 19:40 Smith, Micholas D. wrote:
> Dear oth
Dear other users (and developers)
I moved some simulations that were working pretty well on one supercomputer to
another (the previous one did not have gpu nodes) to take advantage of some
gpus, but I am now getting a sporadic error:
Program gmx_mpi, VERSION 5.0
Source code file: /autof
