Re: Subject: Re: [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1

2013-04-15 Thread Justin Lemkul
Lemkul Subject: Re: [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1 To: Discussion list for GROMACS users Message-ID: <516bd18d.8000...@vt.edu> Content-Type: text/plain; charset=ISO-8859-1; format=flowed On 4/14/13 11:23 PM, Stephanie Teich-McGoldrick wrote:

Subject: Re: [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1

2013-04-15 Thread Stephanie Teich-McGoldrick
e any suggestions on where I should start tracking down this error? When I use particle decomposition my simulations run fine. Thanks in advance! Stephanie Message: 3 Date: Mon, 15 Apr 2013 06:08:13 -0400 From: Justin Lemkul Subject: Re: [gmx-users] Issue with domain decomposition betwee

Re: [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1

2013-04-15 Thread Justin Lemkul
On 4/14/13 11:23 PM, Stephanie Teich-McGoldrick wrote: Dear all, I am running a NPT simulation of 33,534 tip4P waters, and I am using domain decomposition as the parallelization scheme. Previously, I had been using Gromacs version 4.5.5 but have recently installed and switched to Gromacs versi

[gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1

2013-04-14 Thread Stephanie Teich-McGoldrick
Dear all, I am running a NPT simulation of 33,534 tip4P waters, and I am using domain decomposition as the parallelization scheme. Previously, I had been using Gromacs version 4.5.5 but have recently installed and switched to Gromacs version 4.6.1. Using Gromacs 4.5.5 I can successfully run my wat