[Pw_forum] getting restart files from local scratch directories in parallel runs

[Konstantin Kudin]

 Hi Eduardo,

 With PWSCF 3.0 you have an option to write wavefunction files (usually
the largest) to a separate directory, specified by wfcdir='path', and
these could be local to the nodes. 

 On the other hand, outdir can be set to some NFS storage. Basically,
for an efficient restart one only needs the density file *.rho, and the
"prefix.save" stuff. That is why these go to a more permanent place
such as 'outdir'.

 Ultimately what you really want to do is to minimize the NFS traffic,
and making *.wfc files local to the nodes is often sufficient for that.

 If keeping 'outdir' on the NFS filesystem is still too demanding, you
could copy the required stuff to the first node, set your 'outdir' to
that, and once the job is finished copy it back. But that requires a
bit more scripting.

 I hope this helps.

 Kostya

 

 

--- Eduardo Ariel Menendez P <emenendez at macul.ciencias.uchile.cl>
wrote:

> 
> Hello,
> Is it possible to write the wafefunctions, densities, and potential
> files
> in local directories during the calculation, and then write the
> prefix.save in
> the user NFS directory? As I understand, all files are saved in the
> "outdir"  directory, which should be local, not an NFS directory.
> However,
> doing that I lost the possibility of restart.
> Maybe one only needs to retrieve the $outdir/prefix.save file from
>  "any one" or from a "specific one"
> of the local directories using a command of the particular queue
> system.
> Is that the case?
> 
> Eduardo A. Menendez Proupin
> Department of Physics
> Faculty of Science
> University of Chile
> Las Palmeras 3425
> Ñuñoa, Santiago
> Chile
> Phone: 56+2+978 74 11
> http://fisica.ciencias.uchile.cl/~emenendez/
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 


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