[gmx-users] g_dist problem
hseara at netscape.net
hseara at netscape.net
Mon Oct 16 09:54:09 CEST 2006
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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