[Pw_forum] restart problem

[Paolo Giannozzi]

On Aug 12, 2007, at 18:18 , Bhagawan Sahu wrote:

> Is there a bug in the restart routine?

yes, there is one (in parallel execution, only for machines
that do not initialize logical variables to 0, i.e. .false.; this
is why it was working on ibm sp5, I think). The problem is
that file access and I/O must be performed by a single
process, while all other operations must be performed by
all processes. The bug consisted in a setting of a variable
that was done on a single process and not broadcast to the
others. The correct routine (I hope) for both 3.2 and cvs
version is attached. Thank you for bringing this to our attention

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy