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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