[gmx-users] g_dist problem

[hseara at netscape.net]

  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?
 
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