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<div>no, I allways install gromacs from the source.<br>
--Hector <br>
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-----Original Message-----<br>
From: spoel@xray.bmc.uu.se<br>
To: gmx-users@gromacs.org<br>
Sent: Mon, 16 Oct 2006 9:47 PM<br>
Subject: Re: [gmx-users] g_dist problem<br>
<br>
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<div class=AOLPlainTextBody id=AOLMsgPart_0_fc1546ab-d18b-4e3a-a434-a61c5b4d0080><A href="mailto:hseara%40netscape.net">hseara@netscape.net</A> wrote: <br>
> Dear Users, <br>
> > 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. <br>
> 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. <br>
> > Thanks <br>
> Hector Martínez-Seara Monné <br>
> University of Barcelona <br>
> > -----Original Message----- <br>
> From: <A href="mailto:hseara%40netscape.net">hseara@netscape.net</A> <br>
> To: <A href="mailto:gmx-users%40gromacs.org">gmx-users@gromacs.org</A> <br>
> Sent: Mon, 16 Oct 2006 9:54 AM <br>
> Subject: [gmx-users] g_dist problem <br>
> > Dear Users, <br>
> > 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: <br>
> > NOT WORKING <br>
> Gromacs 3.3.1 simple precision <br>
> dual xeon 3.0 hz Dell 1800 <br>
> fedora core 5 kernel: 2.6.17-1.2139_FC5smp <br>
> mpi-2 installed ( but I thing not used ) <br>
> sge queu system working but I send he job intercatively <br>
> gcc version 4.1.1 20060525 (Red Hat 4.1.1-1) <br>
> > NOT WORKING <br>
> Gromacs 3.3.1 simple precision <br>
> Intel Dualcore 3.2 hz Dell dimension 9150 <br>
> fedora core 5 kernel: 2.6.17--1.2187_FC5smp <br>
> no mpi <br>
> simple workstaion <br>
> gcc version 4.1.1 20060525 (Red Hat 4.1.1-1) <br>
> > WORKING ( 2 differet machines) <br>
> Gromacs 3.3.1 simple precision <br>
> P4 3.0hz <br>
> fedora core 4 kernel: 2.6.15-1.1831_FC4smp <br>
> no mpi <br>
> simple workstaion <br>
> gcc versió 4.0.2 20051125 (Red Hat 4.0.2-8) <br>
> > Any one knows what is happening? <br>
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. <br>
<br>
Have you tried the rpms? <br>
-- David. <br>
________________________________________________________________________ <br>
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, <br>
Dept. of Cell and Molecular Biology, Uppsala University. <br>
Husargatan 3, Box 596, 75124 Uppsala, Sweden <br>
phone: 46 18 471 4205 fax: 46 18 511 755 <br>
<A href="mailto:spoel%40xray.bmc.uu.se">spoel@xray.bmc.uu.se</A> <A href="mailto:spoel%40gromacs.org">spoel@gromacs.org</A> <A href="http://folding.bmc.uu.se/" target=_blank>http://folding.bmc.uu.se</A> <br>
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