STRESS tensor

Axel akoh... at gmail.com
Mon Feb 4 23:09:05 CET 2008



On Feb 4, 12:29 pm, Rad <rad.... at arl.army.mil> wrote:
> I am sorry Teo, you are right. The stress was printed in separate
> file. I am still getting used to look for it.
>
> Axel - we can't do cvs from our environment, can't do cron jobs
> either. There are so many restrictions. Nightly build download from
> the web is the easiest option. When i am working from home then I can
> do cvs update
> from an university machine and move the stuff back to our hpc
> mcahines. At workplace we are restricted to only few options.

you just have to be a little more creative!
if you can download from a web sever you can have your own nightly
builds on another machine where you have access and then upload the
executable to some webserver. of course this can even be done from
home or elsewhere. it just has to be set up to run
(semi-)automatically.

a.

>
> Thanks
> Rad
>
> On Feb 4, 9:02 am, Teodoro Laino <teodor... at gmail.com> wrote:
>
> > Hi Rad,
>
> > On 4 Feb 2008, at 14:47, Rad wrote:
>
> > > It is still not printing the pressure/stress tensor. I pulled out a
> > > copy of cp2k from the cvs respository (not the nightly build) and
> > > compiled it for the run. When will the nightly build with the updated
> > > version be available?
>
> > I have really no idea rad.. It should be done every night but that is
> > out of my control.
> > Unfortunately it depends on many things and due to the relatively
> > instability of berlios
> > this could be delayed ..
>
> > > Is there a way I can quickly look at the code (for specifice code
> > > changes) to make sure that I am working with the correct version that
> > > prints the tensor in an optimization run?
>
> > If I'm not wrong (pls correct me in case) you should see when running
> > cp2k the LAST CVS entry
> > at the very beginning of the output file.. you can check with the cvs
> > homepage to see if that file corresponds
> > really to the one you're interested..
>
> > Anyway I'm able to print the stress tensor with the yesterday
> > version.. Please check about the keywords
> > you've to specify (see the previous message)..
> > Otherwise just post the input file and I will have a look.
>
> > Ciao,
> > Teo


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