[gmx-developers] tpx tag

Berk Hess hess at kth.se
Fri Feb 24 09:26:56 CET 2012

On 2/24/12 8:58 , Mark Abraham wrote:
> 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
Ah, maybe it's really time to organize the collaborative Gromacs project 
in a more efficient way.
First we need to hire some people though. Currently 1.5 persons are 
managing most
of the integration work and there is little time for fixing issues and 
considering new (small)
features. Fortunately several people around the world help with a lot of 
things now,
but we need more people to share the integration and management.
We have the funds, one of you wouldn't happen to no someone who would be 
in Gromacs development/management work?



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