[Wien] Error coming from .timeso_X

[Lyudmila Dobysheva]

29.06.2016 22:07, Maciej Polak wrote:
> I'm curious though, how does it get there?

I am not a specialist in commands of shell, but there are several
commands writing their output to .timeso in lapwsopara, for example:
(cd $PWD;$t $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p]) 
 >>.timeso_$loop &

case.inso looks o'k for me.

> case.struct:
>> ATOM -54: X=0.75880142 Y=0.74505482 Z=0.74909811
>>    1      NUMBER OF SYMMETRY OPERATIONS

Many atoms, without any symmetry operation, the lattice is with angles 
of 60 60 60... Maybe this is a reason - not enough memory in computer? 
too large arrays?
I'd check this by two ways: decreasing number of atoms, or increasing 
size of memory (maybe, recompile lapwso). As far as I remember, lapwso 
requires more memory, twice at least, cpmpared to usual lapw1 lapw2.

>> 29.06.2016 12:11, Maciej Polak wrote:
>>> I have trouble with running run_lapw with the "so" switch in parallel.
>>> I narrowed down the origin of this error to be located in .timeso_X
>>> files (.timeso_1).
>>>> info in pzheevx16           5 2           1
>>>> {    1,    0}:  On entry to
>>>> PZUNMTR parameter number    5 had an illegal value
>>>>  info in pzheevx16:           5
>>>> {    1,    1}:  On entry to
>>>> PZSTEIN parameter number    4 had an illegal value

Best wishes
   Lyudmila Dobysheva
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