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

[Gavin Abo]

The error may be coming from line 702 in $WIENROOT/runafm_lapw:

!if (! $?cc_test) goto nextiter

The symbol ! I think is for history substitution in csh [1] but someone 
may have intended it to be a comment symbol # [2] as the ! is comment 
symbol in Fortran [3].

You might see if the error goes away by changing the line to:

#if (! $?cc_test) goto nextiter

[1] https://stackoverflow.com/questions/19174808/event-not-found-csh
[2] http://www-cs.canisius.edu/ONLINESTUFF/UNIX/shellprogramming.html#A
[3] https://web.stanford.edu/class/me200c/tutorial_77/03_basics.html

On 9/14/2018 10:16 AM, Eric Kenney wrote:
> 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 
> <mailto:fc97fd4f-4315-b61d-21cc-c33b133d767b at theochem.tuwien.ac.at>>
> Content-Type: text/plain; charset=utf-8; format=flowed
>
> 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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