[gmx-users] g_dist problem

[David van der Spoel]

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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