[gmx-developers] tpx tag
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 :)
>> You should have asked for it years ago then!
> I did -
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
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
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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