[Pw_forum] espresso-5.0.2 error when testing modules

薛诗川 nudt.xueshichuan at gmail.com
Mon Apr 14 13:08:50 CEST 2014


Hi,all,

I am testing espresso-5.0.2. When I test some of its modules(e.g. CPV,
PWCOND , PP……),I encountered some questions.

1.       when testing CPV/examples/example09, for input
*mgo.cp.damp.efield,*there is an error:

Error in routine ortho (31):

max number of iterations exceeded

2.       when testing CPV/examples/example05, there is an error:

Error in routine cp_read_cell (5):

cannot open restart file for reading:
/root/tmp//h2o_mol_50.save/data-file.xml

however, these files should be produced during the process under out_dir,
why is it wrong with such an error : cannot  find file?

3.       Phonon/examples/example01

The same with 2 that files under out_dir are not found.

4.       When testing PP/examples/example01, error:

from bands : error #         1

gamma_only case not implemented



thanks a lot
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