[Pw_forum] Segmentation Fault (11)

[nicola varini]

Hi, from your problem below I see that you are using limkl_avx in your 
linking.
If you use gfortran + mkl can you check that you have in your make.sys 
the following

BLAS_LIB = -Wl,--no-as-needed -L${MKLROOT}/lib/intel64 -lmkl_gf_lp64 
-lmkl_core -lmkl_sequential -lpthread -lm

If this still don't work you might try to use internal blas and lapack 
as Paolo suggested.

HTH.

Nicola


On 28/10/15 10:36, Paolo Giannozzi wrote:
> Please see here:
> http://www.quantum-espresso.org/faq/frequent-errors-during-execution/#5.2
> Since zdotc is the function that segfaults, this (from the user guide) 
> could be relevant:
>
> 2.7.6.3 Linux PCs with gfortran
>
> "There is a known incompatibility problem between the calling 
> convention for Fortran functions that return complex values: there is 
> the convention used by g77/f2c, where in practice the compiler 
> converts such functions to subroutines with a further parameter for 
> the return value; gfortran instead produces a normal function 
> returning a complex value. If your system libraries were compiled 
> using g77 (which may happen for system-provided libraries in 
> not-too-recent Linux distributions), and you instead use gfortran to 
> compile QUANTUM ESPRESSO, your code may crash or produce random 
> results. This typically happens during calls to zdotc, which is one 
> the most commonly used complex-returning functions of BLAS+LAPACK.
>
> For further details see for instance this link:
> http://www.macresearch.org/lapackblas-fortran-106#comment-17071
> or read the man page of gfortran under the flag -ff2c.
>
> If your code crashes during a call to zdotc, try to recompile QUANTUM 
> ESPRESSO using the internal BLAS and LAPACK routines (using the 
> -with-internal-blas and -with-internal-lapack parameters of the 
> configure script) to see if the problem disappears; or, add the -ff2c 
> flag" (info by Giovanni Pizzi, Jan. 2013).
>
> Note that a similar problem with complex functions exists with MKL 
> libraries as well: if you compile with gfortran, link -lmkl_gf_lp64, 
> not -lmkl_intel_lp64, and the like for other architectures. Since 
> v.5.1, you may use the following workaround: add preprocessing option 
> -Dzdotc=zdotc_wrapper to DFLAGS.
>
>
>
> On Tue, Oct 27, 2015 at 10:27 PM, Pulkit Garg <pgarg8 at asu.edu 
> <mailto:pgarg8 at asu.edu>> wrote:
>
>     [sparky-32:92490] *** Process received signal ***
>     [sparky-32:92490] Signal: Segmentation fault (11)
>     [sparky-32:92490] Signal code:  (128)
>     [sparky-32:92490] Failing at address: (nil)
>     [sparky-32:92490] [ 0]
>     /lib/x86_64-linux-gnu/libpthread.so.0(+0xfcb0) [0x2ac8b2aa7cb0]
>     [sparky-32:92490] [ 1]
>     /opt/intel/composer_xe_2013.3.163/mkl/lib/intel64/libmkl_avx.so(mkl_blas_avx_zdotc+0xe0)
>     [0x2ac8c4de7da0]
>     [sparky-32:92490] [ 2]
>     /opt/intel/composer_xe_2013.3.163/mkl/lib/intel64/libmkl_gf_lp64.so(zdotc_gf+0x2e)
>     [0x2ac8b007a56e]
>     [sparky-32:92490] [ 3]
>     /opt/intel/composer_xe_2013.3.163/mkl/lib/intel64/libmkl_gf_lp64.so(zdotc+0x26)
>     [0x2ac8b007a87e]
>     [sparky-32:92490] *** End of error message ***
>     --------------------------------------------------------------------------
>     mpirun noticed that process rank 12 with PID 92490 on node
>     sparky-32 exited on signal 11 (Segmentation fault).
>
>     I am able to run QE for my structure with 4 atoms and also when my
>     structure has 50 atoms. But when I run QE for bigger structure
>     (108 atoms) I am getting the above error. People have posted
>     similar errors but I am not sure what to do to fix this.
>
>     Pulkit Garg
>
>     _______________________________________________
>     Pw_forum mailing list
>     Pw_forum at pwscf.org <mailto:Pw_forum at pwscf.org>
>     http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
>
> -- 
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216 <tel:%2B39-0432-558216>, fax +39-0432-558222 
> <tel:%2B39-0432-558222>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
Nicola Varini, PhD

Scientific IT and Application Support (SCITAS)
Theory and simulation of materials (THEOS)
CE 0 813 (Bâtiment CE)
Station 1
CH-1015 Lausanne
+41 21 69 31332
http://scitas.epfl.ch

Nicola Varini

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151028/d9f771ec/attachment.html>