[QE-users] GIPAW Segmentation Fault

[Ben Comer]

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
>