[gmx-developers] tpx tag

Mark Abraham Mark.Abraham at anu.edu.au
Fri Feb 24 08:58:00 CET 2012


On 24/02/2012 6:56 PM, Berk Hess wrote:
> On 2/24/12 7:51 , Mark Abraham wrote:
>> On 24/02/2012 3:01 AM, Berk Hess wrote:
>>> Hi all,
>>>
>>> I have just pushed a change to gerrit for release-4-6 which adds a 
>>> tag to the tpx format.
>>> This allows you to have a modified tpx format without the problem 
>>> that the tpx files
>>> are indistinguishable from "release" tpx files, which would cause 
>>> nasty segv or weird
>>> errors on read.
>>> If you want to use a modified tpx version, simply change the tpx_tag 
>>> in tpxio.c
>>> (and increase the tpx_version).
>>> We will do this for our GPU / hybrid MPI+OpenMP 4.6 pre-release.
>>
>> Excellent. I've wanted this for years :)
>>
>> Mark
> You should have asked for it years ago then!

I did - 
http://lists.gromacs.org/pipermail/gmx-developers/2010-March/004085.html

Mark



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