[Pw_forum] File closing errors when using NEB image parallelization

[Lorenzo Paulatto]

In data 10 giugno 2009 alle ore 20:13:23, J. J. Ramsey <jjr19 at uakron.edu>  
ha scritto:
> ...
> In spite of the errors at the end, both runs, with and without image
> parallelization, get me the same answer, and offhand, it looks maybe as  
> if some processes are trying to close files that had already been closed
> by other processes.

Hallo J,
sorry for not replying for so long.

You problem is indeed interesting, but in my NEB calculations I've never  
met it. Can you provide an example input file? In theory different images  
use different prefix, hence they should not interfere, nevertheless there  
could still be some problem, e.g. some debug output that have been left in  
the code by mistake.

If you don't want to provide an example, or if the example is massive, you  
could try to compile the code with debug options (on intel compiler I  
suggest -traceback): you should be able to spot the exact line where the  
offending output happens.

best regards

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Lorenzo Paulatto
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