On 5/15/13 7:15 PM, Tong Li wrote:
Hi Justin,
I really appreciate your reply! I finally solved the problem: change the
machine…
I have no idea why this happens, the machine I run simulation on is HP Z600,
Ubuntu. The package is directly installed from the ‘Ubuntu software center’.
This system is installed one month ago, it is Ubuntu 12.10. The simulation runs
perfectly on the machine. However, after the simulation, my post processing got
the aforementioned problem. I checked a whole day but didn’t get any clue,
totally lost myself. When I was about to leave my office yesterday, I did my
last try on the HPC server from our university. It finished, without any
problem.
I guess it is due to the automatically installation of Gromacs on my HP Z600.
Anyway, the problem is solved, even though I still have no idea why that bug
happened.
Thank you so much for your help and sorry about the annoying question I
proposed.
It's not annoying. On the contrary, it's very useful to know that there might
be broken packages out there in case someone else runs into it. For what it's
worth, I have had problems with Ubuntu packages in the past, though my issues
were related to pdb2gmx. It is for this reason that, to this day, I always
install Gromacs myself from source.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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