[gmx-developers] tpx tag

Berk Hess hess at kth.se
Fri Feb 24 08:56:42 CET 2012

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!


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