[gmx-developers] Checkpointing

David van der Spoel spoel at xray.bmc.uu.se
Thu Jun 6 21:54:11 CEST 2002

On Thu, 6 Jun 2002, Erik Lindahl wrote:

>Since we anyway should get rid of all static data to support threads, it 
>would probably be a good idea to create one or a few structures that 
>contain all data and the current state of the system.
This is not entirely trivial, since the information is shattered over many
data structures... But it has to be done probably..

>When writing files I'd suggest we use a temporary file, and once the 
>write is finished we just move it to the 'real' checkpoint file.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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