[QE-users] turbo_lanczos error

[Pietro Davide Delugas]

hello Michal

in the make.inc you should add the -i8 flag also to FOX_FLAGS in order 
that routines in FoX library are also compiled using long integers

after editing the make.inc file  do a make clean before compiling.
Pietro

On 03/08/2019 10:55 AM, Michal Krompiec wrote:
> Hello,
> I'm trying to run a TDDpFT calculation on a large system, using HSE06 
> functional. Turbo_lanczos crashes with the following message:
>      Error in routine diropn (3):
>      wrong record length
>
> I found a similar (?) problem discussed previously 
> (https://pw-forum.pwscf.narkive.com/6QjNE4Dw/wrong-record-length ) but 
> the solution posted there (compilation with the -i8 flag to prevent 
> integer overflow) doesn't work for me - build fails with the following 
> error:
> fox_init_module.f90(22): error #6285: There is no matching specific 
> subroutine for this generic subroutine call.   [SETUP_IO]
>       CALL setup_io(ERR_CODE = errcodes(1), EOR_CODE = errcodes(2), 
> EOF_CODE = errcodes(3))
> -----------^
> compilation aborted for fox_init_module.f90 (code 1)
>
> I would be very grateful for any advice.
> Thanks,
> Michal Krompiec
>
>
> Adjunct Professor
>
> School of Chemistry, University of Southampton
>
> Highfield, Southampton SO17 1BJ, UK
>
>
> and
>
> Head of Computational Modelling | Performance Materials | Early 
> Research and Business Development
>
> Merck
>
>
>
>
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