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-c33b133d7...@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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