Thanks for your response. Sorry for the delayed reply.
On Tue, 23 Aug 2011 17:48:32 -0400, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> This is a strange error, since both the trajectory frame size and the
> size of the coordinate buffers are calculated from the number of atoms
> in the input topology file. There shouldn't be an issue unless you
> physically run out of memory.
I highly doubt that this is the case; the machine has 18GB of memory and
the data set isn't _that_ large.
> Can you post your ptraj input file as well as the complete output from
> ptraj (stdin and stderr)
You will find these attached. For reasons I can't say I understand the
glibc error message still goes to the console despite my having
redirected stderr. I cut and pasted it into ptraj.fail.
> along with what AT1.5 bugfixes you have applied?
Bugfixes 1-17 are applied.
> Also, have you tried the same input with cpptraj? Does a similar issue
> occur?
>
Unfortunately it seems that cpptraj isn't able to give us the
information needed (moments of inertia).
Cheers,
- Ben
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Received on Thu Aug 25 2011 - 13:00:03 PDT
