[Wien] SCF Cycle stops; if: event not found

[Eric Kenney]

Sorry for the delay; Helium experiments happened and then I've been trying
to debug.

The Script I'm trying to run is runafm_lapw -cc 0.001

I get a if:event not found after Mixer->clmcopy runs.  For example:

runafm_lapw -cc 0.001 -NI
struct_afm_check END
 LAPW0 END
 LAPW1 END
 LAPW2 END
clmcopy END
 CORE  END
 CORE  END
 MIXER END
clmcopy END
if: Event not found.


After some debugging, I can get runafm_lapw to run properly when *no
options* are presented, but as soon as I submit convergence options, such
as -ec or -cc.

As a final note, I'm using a torque job scheduler, so adding in -xf or -f
doesn't seem to enhance the stdout.

Message-ID:
        <fc97fd4f-4315-b61d-21cc-c33b133d767b at theochem.tuwien.ac.at>
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Hi,

I'm not aware of such a problem.

To make it more clear:

Which command are you using ?

  runafm  or   runsp    and which switches ??

Put in the first line of the script you are using (eg. runafm) a -xf
instead of -f only.

This will give you a lot of output at stdout, but the interesting part
is just at the end, because with this you can find where it happens.

Regards
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