[Pw_forum] reading pot file

Paolo Giannozzi giannozz at nest.sns.it
Thu Sep 28 16:41:03 CEST 2006


On Sep 28, 2006, at 1:58 , Sergey Lisenkov wrote:

> I am a little bit confused how to force the code read potential file
> in beginning of calculation. I use the next option in my input file:
>
>  startingpot='file'
>
> But in output file I see :
> [ ...]
>      Cannot read rho : file not found
> [....]
> Is it possible that this behaviour is caused by using local disks on
> each node and I copied *.save dir only on the first node?

See routine "PW/potinit.f90". Assuming that the file is really there
with the expected name, the only possible reason is that process 0
of the second run (when the file is read) does not see the *.save
directory, because it is executed on a different processor with
respect to the first run (when the file was written). It is a known
problem if you use local filesystems and there is little one can do,
other than copying the needed files to a place where they can
be found.

Paolo





More information about the Pw_forum mailing list