Re: [gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder

2009-01-26 Thread Steve Fiedler
Subject: RE: [gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder Date: Fri, 23 Jan 2009 10:37:17 +0100 Hi, For my test system it works with those modfications. Can you file a bugzilla entry and attach all the files necessary for running grompp? Berk > Date: Thu, 22 Jan 2

RE: [gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder

2009-01-24 Thread Berk Hess
@gromacs.org Subject: RE: [gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder Date: Fri, 23 Jan 2009 10:37:17 +0100 Hi, For my test system it works with those modfications. Can you file a bugzilla entry and attach all the files necessary for running grompp

RE: [gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder

2009-01-23 Thread Berk Hess
lutil.c the loop should go to 1+pull->ngrp, not > > 1+pull->ngrp+1. > > > > With those changes it runs for me. > > But please check that your results are correct, I have not properly tested > > the cylinder option. > > > > Berk > > > > >/ Date

[gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder

2009-01-22 Thread Steve Fiedler
ect=%5Bgmx-users%5D%20Segmentation%20fault%20preprocessing%20with%20pull_geometry%0A%09%3D%09cylinder&In-Reply-To=49778A7E.9010804%40umich.edu> /Thu Jan 22 10:10:32 CET 2009/ * Previous message: [gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder

RE: [gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder

2009-01-22 Thread Berk Hess
>ngrp, not 1+pull->ngrp+1. With those changes it runs for me. But please check that your results are correct, I have not properly tested the cylinder option. Berk > Date: Wed, 21 Jan 2009 15:50:06 -0500 > From: fied...@umich.edu > To: gmx-users@gromacs.org > Subject: [gmx-us

[gmx-users] Segmentation fault preprocessing with pull_geometry = cylinder

2009-01-21 Thread Steve Fiedler
Dear all, On transitioning from Gromacs version 3.3.3 to 4.0.3, I have encountered a segmentation fault (output below) preprocessing a constraint force calculation, while using the pull code with the "pull_geometry = cylinder" option in the mdp file. This problem appears is reproducible on