[QE-users] 2. k-point parallelisation using ESM-RISM: seg fault (Tom Demeyere)

[Paolo Giannozzi]

A bad quote may lead to obscure errors when reading data, or to data 
being written to files with funny names, but it seems to me unlikely 
that it can produce a segmentation fault as shown in the traceback.

Paolo

On 24/06/2023 13:22, Robinson Juma Musembi wrote:
> 
> items in quote marks are interpreted as data type string by the 
> computer, the error might be triggered by how you have written the prefix
> &CONTROL
>     calculation      = 'relax'
>     restart_mode     = 'from_scratch'
>     nstep            = 999
>     tstress          = .false.
>     tprnfor          = .true.
>     outdir           = 'pw.dir'
>     prefix           = ?pw'
>     etot_conv_thr    = 1e-06
>     forc_conv_thr    = 0.001
>     trism            = .true.
> /
> 
> *Robinson J.  Musembi*
> Solid State and Materials Research
> Department of Physics, University of Nairobi
> 
> 
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216