[Pw_forum] PWscf calculation problem (mpi and serial)
Paolo Giannozzi
giannozz at democritos.it
Mon Dec 22 11:46:48 CET 2008
Jiaye, Li wrote:
> I wait for hours and there are no further new contents read from the
> output file. I don't know whether it is the overflow of the memery?
while you wait, you could have a look at the "Troubleshooting" section:
http://www.quantum-espresso.org/wiki/index.php/Troubleshooting_(PWscf)
in particular item 1.15 "pw.x runs but nothing happens";
and also to the "Running on parallel machine" section:
http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines
You could also remove output redirection (in case of trouble, it tends
to eat error messages); run a smaller calculation; try serial execution;
etc. etc.
Paolo
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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