On Fri, Mar 8, 2019 at 3:49 PM Michal Krompiec <[email protected]> wrote:
Attempting to use an MPI routine before initializing MPI > *** error in Message Passing (mp) module *** > *** error code: 8000 > > What could be the cause? > hard to say. May I suggest that you promote to double precision only a few relevant variables instead of all integer variables? these are: unf_recl, recl in Modules/io_files,f90, subroutine diropn; and the various "nword*" variables. First of all, print unf_recl and recl in diropn just before the error message, in order to locate exactly where the problem arises Paolo > Thanks, > Michal > > On Fri, 8 Mar 2019 at 10:14, Pietro Davide Delugas <[email protected]> > wrote: > >> 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 >> >> >> >> _______________________________________________ >> users mailing >> [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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