[QE-users] GIPAW Segmentation Fault

[Davide Ceresoli]

Dear Ben,
     I'm afraid it's a problem with MKL-blas ZDOTC, which must
return a complex(dp) result. Very strange, because if you grep
the source code, we have declared it: complex(dp), external::zdtoc

Can you tell us your compiler and MKL version? can you add
DFLAGS+=-Dzdotc=zdotc_wrapper
to the QE make.inc and recompile both (QE and GIPAW)?

Best wishes,
     Davide


On 08/06/2018 03:19 PM, Ben Comer wrote:
> Hello,
> 
> I've been trying to do g factor calculations in GIPAW working for a few days 
> now. I keep getting a segmentation fault (below) no matter how I compile it on 
> our cluster. Does anyone have a good idea of what might be causing this?
> 
> 
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine Line        Source
> gipaw.x            0000000000C40604  Unknown Unknown  Unknown
> libpthread-2.12.s  000000328DE0F7E0  Unknown Unknown  Unknown
> libmkl_avx2.so     00002AAAB7DA5CA3  mkl_blas_avx2_zdo Unknown  Unknown
> 
> Thanks,
> 
> Ben Comer
> 
> Georgia Tech
> 
> 
> 

-- 
+--------------------------------------------------------------+
   Davide Ceresoli
   CNR Institute of Molecular Science and Technology (CNR-ISTM)
   c/o University of Milan, via Golgi 19, 20133 Milan, Italy
   Email: davide.ceresoli at istm.cnr.it
   Phone: +39-02-50314276, +39-347-1001570 (mobile)
   Skype: dceresoli
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