[QE-users] GIPAW Segmentation Fault

[Davide Ceresoli]

Dear Ben,
     is your mpif90 using the intel compiler or gfortran?
why are you linking libmkl_gf_lp64 ? that is specific for
gfortran and it might be reason of the crashes, when using
the intel compiler.

Best wishes,
     Davide

On 08/08/2018 06:08 PM, Ben Comer wrote:
> Davide,
> 
> I am using the intel 17.0 compiler with mkl 11.3. Adding the suggested line to 
> the bottom of my make.inc file did not change the error unfortunately. I've 
> included a dropbox link containing my build script and make.inc. I'm using the 
> QE-GIPAW 6.2.2 release (QE and GIPAW bundled).
> 
> https://www.dropbox.com/sh/1znj73stc2opkkq/AABVcYoSXKIGlhi293GIB8Zpa?dl=0
> 
> 
>> 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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