[Wien] LAPW2 crashed when running in parallel

[Lyudmila V. Dobysheva]

01 Nov 2010 02:56:47 Wei Xie wrote:
> We encountered some problem when running in parallel (K-point, MPI or
>  both)--the calculations crashed at LAPW2. Note we had no problem running
>  it in serial.
> This is a TiC example running

Dear Wei,

Isn't the error connected with spin-polarised - spin-UNpolarised cases? TiC is 
to be calculated unpolarised, as far as I know.
> 1. stdout (abridged)
...
> TiC.scf1up_1: No such file or directory.

Was lapw1 really successfull?

> 3. uplapw2.error
> Error in LAPW2
>  'LAPW2' - can't open unit: 18
>  'LAPW2' -        filename: TiC.vspup
>  'LAPW2' -          status: old          form: formatted

It looks like your initialization was done without spin-polarization, but 
runsp_lapw was run. But in this case lapw1 must also be unsuccessful (?).

Best regards,
Lyudmila Dobysheva
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