[Pw_forum] restart problem in parallel/serial mode with SOC

[Cyrille Barreteau]

Dear all,

Yesterday I posted an email about restart problems in parallel mode
(version v.3.2.3)
In the meanwhile I had a discussion with Conor Hogan and did some
extra checks. Here are my "observations".

1) First I noticed that my problems only exist when spin-orbit coupling
is present. Everything works fine if there is no SO.

2) The restart_mode='restart' (and wf_collect=.true.) does not work with SO,
 I get the the following message

 IOS = 38

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     i/o error in davcio
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

3) the startingwfc='file' does not work either and I get the message that
the wfc file was not found.. But the code continues with 'atomic' wfc.
 the startingpot='file' works fine.

4) I have also tried to do a dos.x calculation. For that purpose I saved
the prefix.save directory on my serial machine and sent a dos.x calculation.
Everything works fine without SO, but with SO I get again the error message:

 IOS = 38

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from davcio : error #        10
     i/o error in davcio
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I guess there is a small bug somewhere when SOC is swicthed on..


thanks for following my terrible tangle (up in blue:-)

   cyrille

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Cyrille Barreteau  | phone : +33 (0)1 69 08 29 51
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