[Pw_forum] something wrong with vc-relax & relax on my clusters

[Paolo Giannozzi]

Lorenzo Paulatto wrote:

> On Mar, Giugno 24, 2008 11:12, lewvega wrote:
>>   &CELL
>>   /
>> [...]
>>  this indicate the 'vc-relax' didn't take effect, no cell parameters was
>>  not optimized during the vc-relax strategy.
> 
> Dear Vega Lew,
> default cell dynamic is "none", which means that cell won't change unless
> you specify it.

in addition, one has to choose a suitable time step: see
http://www.quantum-espresso.org/wiki/index.php/Frequently_Asked_Questions
item 1.2.5

 > I typed 'mpiexec -n 20 pw.x < inputfile > outputfile'.
 > But unfortunately nothing happened

the usual problem with misconfigured mpi libraries and redirection?
http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines#Trouble_with_input_files

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy