[gmx-users] g_dist problem

[hseara at netscape.net]

no, I allways install gromacs from the source.
--Hector 
  
 
 
-----Original Message-----
From: spoel at xray.bmc.uu.se
To: gmx-users at gromacs.org
Sent: Mon, 16 Oct 2006 9:47 PM
Subject: Re: [gmx-users] g_dist problem


hseara at netscape.net wrote: 
> Dear Users, 
> > I have compiled in a non working machine g_dist with gcc version 3.2.3 > 20030502 (Red Hat Linux 3.2.3-55.fc5). Now is working. 
> Then it seem to be the compiler gcc version 4.1.1 20060525 (Red Hat > 4.1.1-1) which come with fedora 5 which leads to the problem. Well I'm > not sure if it's necessary to work in that incompatibility. 
> > Thanks 
> Hector Martínez-Seara Monné 
> University of Barcelona 
> > -----Original Message----- 
> From: hseara at netscape.net 
> To: gmx-users at gromacs.org 
> Sent: Mon, 16 Oct 2006 9:54 AM 
> Subject: [gmx-users] g_dist problem 
> > Dear Users, 
> > I am trying to use g_dist to analize some dinamys. The problem is that > this program freeze just after selecting the to groups to calculate the > distance inbetween the mass centers with out any error and consuming > 100% cpu. The versions with the problem are 3.3.x. The analasis using > the same files in another computers works perfectly. The g_dist coming > with the version 3.2.1 also works fine, but i can't use it with the tpr > files done by version 3.3.1. The diference in betwen the machines are > not many. I will describe both: 
> > NOT WORKING 
> Gromacs 3.3.1 simple precision 
> dual xeon 3.0 hz Dell 1800 
> fedora core 5 kernel: 2.6.17-1.2139_FC5smp 
> mpi-2 installed ( but I thing not used ) 
> sge queu system working but I send he job intercatively 
> gcc version 4.1.1 20060525 (Red Hat 4.1.1-1) 
> > NOT WORKING 
> Gromacs 3.3.1 simple precision 
> Intel Dualcore 3.2 hz Dell dimension 9150 
> fedora core 5 kernel: 2.6.17--1.2187_FC5smp 
> no mpi 
> simple workstaion 
> gcc version 4.1.1 20060525 (Red Hat 4.1.1-1) 
> > WORKING ( 2 differet machines) 
> Gromacs 3.3.1 simple precision 
> P4 3.0hz 
> fedora core 4 kernel: 2.6.15-1.1831_FC4smp 
> no mpi 
> simple workstaion 
> gcc versió 4.0.2 20051125 (Red Hat 4.0.2-8) 
> > Any one knows what is happening? 
There is a bugzilla about this as well. Most likely a compiler problem, but right now it is a bit hard to test for me since I would have to install a box with F5. 
 
Have you tried the rpms? 
-- David. 
________________________________________________________________________ 
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, 
Dept. of Cell and Molecular Biology, Uppsala University. 
Husargatan 3, Box 596, 75124 Uppsala, Sweden 
phone: 46 18 471 4205 fax: 46 18 511 755 
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se 
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