[QE-users] GIPAW Segmentation Fault

[Ben Comer]

Thanks for the input, removing that flag did not fix the problem 
unfortunately. I was using those flags because I had just copied an 
install script from our cluster's support staff. However, I was able to 
get everything working by compiling with gcc (though this may not be 
optimal). I believe there is an issue in the intel libraries on our 
cluster. Thanks for the help!


On 08/09/2018 03:33 PM, Davide Ceresoli wrote:
> 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
>>>
>>
>>
>>
>