Dear QE Masters: It looks libpthread-2.17.s , libiomp5.so ,and libiomp5.so are intel mkl libs. I am sure the intel libs are correct because I use it for other code compilations and run ok.
Please let me know what the problem is. Best, Hong On Wed, Jul 21, 2021 at 4:40 PM Hong Tang <tanghong...@gmail.com> wrote: > Dear Fabrizio and Paolo, > > The issue is still there. > > I installed Qe6.7 and 6.8 with libxc.5.1.5 with intel compiler. I think > the installations look good. I got those .x files in the bin folder. > > Both versions are good when run pw.x for "scf" with the silicon example. > However, both failed for "nscf" runs, even with the pbe functional. the > errors below: > ]$ /home/hongtang/QE68_Libxc_intel/qe-6.8/bin/pw.x -inp Si.1.nscf.in > > Si.1.nscf.out > forrtl: severe (174): SIGSEGV, segmentation fault occurred > Image PC Routine Line Source > > pw.x 0000000001A701C4 Unknown Unknown Unknown > libpthread-2.17.s 00002AAAAFAF7630 Unknown Unknown Unknown > libiomp5.so 00002AAAAF83A8E0 Unknown Unknown Unknown > libiomp5.so 00002AAAAF83D1CC Unknown Unknown Unknown > pw.x 0000000001AB753B Unknown Unknown Unknown > pw.x 0000000001075181 Unknown Unknown Unknown > pw.x 000000000102353A Unknown Unknown Unknown > pw.x 0000000001090AAD Unknown Unknown Unknown > pw.x 000000000107E747 Unknown Unknown Unknown > pw.x 0000000001025976 Unknown Unknown Unknown > pw.x 00000000009C6A35 qexsd_module_mp_q 295 > qexsd.f90 > pw.x 000000000055A0E4 read_conf_from_fi 48 > read_conf_from_file.f90 > pw.x 000000000049D6E8 iosys_ 1480 > input.f90 > pw.x 0000000000582643 run_pwscf_ 101 > run_pwscf.f90 > pw.x 0000000000409CF1 MAIN__ 85 > pwscf.f90 > pw.x 0000000000409B5E Unknown Unknown Unknown > libc-2.17.so 00002AAAAFD26555 __libc_start_main Unknown > Unknown > pw.x 0000000000409A69 Unknown Unknown Unknown > > > > Please help. > > Hong > >
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