errors

[Nordland]

Was there a problem with this geometry? because it works fine for me with hydrogens.

[Anders Blom]

Note that processIsMaster() is not available in the beta-version 10.8.b1, but it is in 10.8, to be released today (fingers crossed).

Code: python

nlprint("my string")

is your best option, in general.

[Anders Blom]

Please send the real geometry by private mail. I don't think this is a geometric issue, but something else.

Am I right that the error does not appear immediately, but after some time of calculations? How long? Does it make it through one iteration of the two-probe SCF? Do you have the full output log?

[jdgayles16]

Yeah It dies at the end of the equivalent bulk calc. just before the device calc.

[jdgayles16]

Thanks for the nlprint suggestion it worked 

[Nordland]

The issues has been resolved now. You can also fix it manually, if you wnet to get a head start.
In the script you will shut have to set the grid-mesh-cutoff to be the same for the electrodes and the central region.

[jdgayles16]

Thanks