[Pw_forum] problem with ph.x

[Paolo Giannozzi]

On Thursday 08 December 2005 16:19, Konzern wrote:

> when I tried to run the example in example06, something unexpected 
> happened [..] I am running the program with 4 cpus

On Saturday 24 December 2005 12:28, Hai-Ping Lan wrote:
>
>               I have compiled  ESPRESSO 2.1.5 package in AMD operon
> workstations. But i cannot perform phonon calculations parallely.

On Monday 09 January 2006 11:11, Gabriele Sclauzero wrote:

>  I tried to run "example06" in the examples that come with the 3.0 
>  espresso package: the ph calculation works when using a single cpu,
>  but hangs up while calculating alas.dyn3 as soon as I try to use more
>  then 1 cpu. 

there was a subtle bug in the phonon code that could lead to crashes
in parallel execution (and some loss of precision in serial execution). 
Save the attached file to the root directory of the 3.0 distribution (the 
one containing PH/) and use command "patch -p0 < phonon.diff". This 
should produce a patched version of PH/phonon.f90 that fixes the
problem with example06.

I don't know about the second case, but I think that the 2.1.5 version 
has the same problem (but needs a different fix)

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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