Dear Paolo Indeed, pw2wannier90-qe502.x recompiled with BLAS and LAPACK from the QE distribution (v 5.0.2) works ok , so the WAN90_example can be successfully run.
Thank you ! Neculai > Likely, it is due to the "zdotc problem" mentioned here: > http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node14.html#SECTION00037610000000000000 > > Paolo > > On Sat, Apr 9, 2016 at 11:44 PM, <[email protected]> wrote: > >> Dear all >> >> We managed to get some more information on this issue : >> >> It seems that pw2wannier90-qe502.x tries to read from a memory address >> which is not specified to it. This happens for >> `generate_guiding_functions` where ZDOTC runs : forms the dot product of >> two complex vectors. >> >> ==21089== Thread 1: >> ==21089== Invalid read of size 4 >> ==21089== at 0x57BF6B3: ZDOTC (in >> /opt/intel/composer_xe_2013.3.163/mkl/lib/intel64/libmkl_intel_lp64.so) >> ==21089== by 0x448E40: generate_guiding_functions_ >> (pw2wannier90.f90:2210) >> ==21089== by 0x44946F: compute_amn_ (pw2wannier90.f90:1998) >> ==21089== by 0x452A81: MAIN__ (pw2wannier90.f90:245) >> ==21089== by 0x437F1C: main (pw2wannier90.f90:84) >> ==21089== Address 0x81 is not stack'd, malloc'd or (recently) free'd >> ==21089== >> >> Program received signal SIGSEGV: Segmentation fault - invalid memory >> reference. >> >> Backtrace for this error: >> #0 0x979B667 >> #1 0x979BC34 >> #2 0xA3A319F >> #3 0x57BF6B3 >> #4 0x448E40 in generate_guiding_functions_ at pw2wannier90.f90:2210 >> #5 0x44946F in compute_amn_ at pw2wannier90.f90:1998 >> #6 0x452A81 in pw2wannier90 at pw2wannier90.f90:245 >> >> Maybe this might help to find a cure. >> Best, >> Neculai >> >> ********************************************** >> N. Plugaru >> National Institute of Materials Physics >> Atomistilor Str. 105 bis, >> 077125 Bucharest-Magurele, Ilfov, Romania. >> Phone: 0040 21 2418 221 (Office) >> Fax : 0040 21 3690 177 >> e-mail: [email protected] >> http://www.infim.ro/ >> ********************************************** >> >> >> >> >> >> >> >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > 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 > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
