[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



More information about the users mailing list