3) re-link with -lmkl_gf_lp64 instead of -lmkl_intel_lp64, or 4) re-compile with preprocessing option -Dzdotc=zdotc_wrapper added to DFLAGS
Paolo On Sun, Jan 29, 2017 at 10:07 AM, Davide Ceresoli <[email protected]> wrote: > Dear Yasser, > can you tell us the compiler version, and send the generated > make.inc? The crash is on the very first call to 'zdotc' which > returns a complex (128 bit) and I suspect an incompatibility > between GNU compilers and Intel MKL. > > While I'm checking this, could you try two things? > 1) modify greenfunction.f90:209 from: > eprec (ibnd) = 1.35d0 * zdotc (npw, evq (1, ibnd), 1, work, 1) > to: > eprec (ibnd) = 1.35d0 * sum( conjg(evq(1:npw,inbd)) * work(1:npw) ) > > 2) recompile without mkl? configure with --with-netlib or with any > other blas/lapack implementation. > > Best, > Davide > > > > > On 01/27/2017 03:23 PM, Yasser Fowad AlWahedi wrote: >> Dear all, >> >> I have compiled QE 6.0 with GNU compilers, intel mkl for all libraries except >> fft which i used fftw3 for it. I used MPICH for the MPI libs. >> >> I also compiled successfully gipaw version 6.0 using the same libraries. I >> started running the quartz example. SCF went successfully without any >> problems. >> >> GIPAW failed and gave the following error: >> >> /Program received signal SIGSEGV: Segmentation fault - invalid memory >> reference. >> >> Backtrace for this error: >> #0 0x7F050C81AE08 >> #1 0x7F050C819F90 >> #2 0x7F050BD2F4AF >> #3 0x7F050F6CF2CD >> #4 0x411A17 in greenfunction_ at greenfunction.f90:209 >> #5 0x43069A in paramagnetic_correction_aug_ at nmr_routines.f90:375 >> #6 0x41E959 in suscept_crystal_inner_qzero at suscept_crystal.f90:469 >> #7 0x4053F2 in MAIN__ at gipaw_main.f90:155 >> Segmentation fault (core dumped)/ >> >> I ran using 1 core and 10 cores, both gave similar errors. >> >> I checked other posts and it seems a similar problem existed before in >> version >> 5.4. I assumed it was fixed in version 6.0. Can you please advise on what >> can i >> do to address this problem? >> >> Yasser Al Wahedi >> Assistant Professor >> Petroleum Institute >> > _______________________________________________ > 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
