Without more information nobody can help. As a start, run the command "Check-mixing" and include the output in an email.
_____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Wed, Sep 2, 2020, 23:30 晨晨 <chin...@qq.com> wrote: > Dear W2k developers and users, > > The wien2k version is 19.2 on Linux with gfortran, OpenBlas and openmpi. > Now executing min_lapw occurs errors as the following: > > [YG@]$ min_lapw -j 'run_lapw -I -fc 1.0 -i 60' > > STOP DSTART ENDS > > 6.269u 0.719s 0:00.95 733.6% 0+0k 0+952io 0pf+0w > > STOP LAPW0 END > > STOP LAPW1 END > > STOP LAPW2 END > > STOP CORE END > > STOP MIXER END > > ec cc and fc_conv 1 1 0 > > in cycle 2 ETEST: 0 CTEST: 0 > > STOP LAPW0 END > > STOP LAPW1 END > > STOP LAPW2 END > > STOP CORE END > > STOP MIXER END > > ec cc and fc_conv 1 1 0 > > in cycle 3 ETEST: 0 CTEST: 0 > > STOP LAPW0 END > > STOP LAPW1 END > > STOP LAPW2 END > > STOP CORE END > > STOP MIXER END > > ec cc and fc_conv 1 1 0 > > in cycle 4 ETEST: 0 CTEST: 0 > > STOP LAPW0 END > > STOP LAPW1 END > > STOP LAPW2 END > > STOP CORE END > > STOP MIXER END > > ec cc and fc_conv 1 1 1 > > > stop > > At line 23 of file wrtscf.f > > Fortran runtime error: Bad value during floating point read > > > > Error termination. Backtrace: > > #0 0x2af8d1010480 in formatted_transfer_scalar_read > > at ../.././libgfortran/io/transfer.c:1594 > > #1 0x2af8d1011a1c in formatted_transfer > > at ../.././libgfortran/io/transfer.c:2270 > > #2 0x41310b in ??? > > #3 0x40974a in ??? > > #4 0x40ca09 in ??? > > #5 0x40cb0c in ??? > > #6 0x2af8d195cd5c in ??? > > #7 0x401458 in ??? > > > Best regards. > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!FT6BG2vHk4fhIdMm3dBly49zaNXNHHDCUOSiRf6KZCz6LMCbNzucR3ODegubQvoNAMPcgA$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!FT6BG2vHk4fhIdMm3dBly49zaNXNHHDCUOSiRf6KZCz6LMCbNzucR3ODegubQvoL2BCPVQ$ >
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