[QE-users] A strange error when using GPU accelerated ph.x

[Paolo Giannozzi]

I am not sure that the electron-phonon calculations are available for 
GPU eecution in the QE version you are running. In any event you should 
provide your data so that one can figure out whether your problem is 
reproducible or not

Paolo

On 4/19/24 18:00, lq1998 via users wrote:
> Dear developers and users,
> 
> I tried to run GPU version of QE for electron phonon coupling 
> calculation on an a100 card. The structure relaxation and 
> self-consistent calculation are successful. However, when I did phonon 
> calculation, my job crashed with a strange error:
> 
> ##################
> [m005:65520:0:65520] Caught signal 11 (Segmentation fault: address not 
> mapped to object at address 0xfffffffffffffffc)
> 
> /fs08/home/js_luqing/src/qe-7.2/PHonon/PH/phq_setup.f90: [ phq_setup_() ]
>        ...
>        322   !     nat_todo, atomo, comp_irr
>        323
>        324   DO irr=0,nirr
> ==>   325      comp_irr(irr)=comp_irr_iq(irr,current_iq)
>        326      IF (elph .AND. irr>0) comp_elph(irr)=comp_irr(irr)
>        327   ENDDO
>        328   !
> 
> ==== backtrace (tid:  65520) ====
>   0 0x00000000004a2780 phq_setup_()  
> /fs08/home/js_luqing/src/qe-7.2/PHonon/PH/phq_setup.f90:325
>   1 0x00000000004700e1 initialize_ph_()  
> /fs08/home/js_luqing/src/qe-7.2/PHonon/PH/initialize_ph.f90:79
>   2 0x000000000041a811 do_phonon_()  
> /fs08/home/js_luqing/src/qe-7.2/PHonon/PH/do_phonon.f90:100
>   3 0x0000000000413d25 MAIN_()  
> /fs08/home/js_luqing/src/qe-7.2/PHonon/PH/phonon.f90:78
>   4 0x0000000000413c71 main()  ???:0
>   5 0x0000000000022555 __libc_start_main()  ???:0
>   6 0x000000000040cd8d _start()  ???:0
> =================================
> [m005:65520] *** Process received signal ***
> [m005:65520] Signal: Segmentation fault (11)
> [m005:65520] Signal code:  (-6)
> [m005:65520] Failing at address: 0x6a80000fff0
> [m005:65520] [ 0] /lib64/libpthread.so.0(+0xf630)[0x2ac4edf09630]
> [m005:65520] [ 1] /fs08/home/js_luqing/src/qe-7.2/bin/ph.x[0x4a2780]
> [m005:65520] [ 2] /fs08/home/js_luqing/src/qe-7.2/bin/ph.x[0x4700e1]
> [m005:65520] [ 3] /fs08/home/js_luqing/src/qe-7.2/bin/ph.x[0x41a811]
> [m005:65520] [ 4] /fs08/home/js_luqing/src/qe-7.2/bin/ph.x[0x413d25]
> [m005:65520] [ 5] /fs08/home/js_luqing/src/qe-7.2/bin/ph.x[0x413c71]
> [m005:65520] [ 6] /lib64/libc.so.6(__libc_start_main+0xf5)[0x2ac4ee9e7555]
> [m005:65520] [ 7] /fs08/home/js_luqing/src/qe-7.2/bin/ph.x[0x40cd8d]
> [m005:65520] *** End of error message ***
> --------------------------------------------------------------------------
> Primary job  terminated normally, but 1 process returned
> a non-zero exit code. Per user-direction, the job has been aborted.
> --------------------------------------------------------------------------
> --------------------------------------------------------------------------
> mpirun noticed that process rank 0 with PID 0 on node m005 exited on 
> signal 11 (Segmentation fault).
> #########################
> 
> I am not an expert of coding, but it seems like the line 325 wasn't 
> recognized, which is fairly strange. I don't know how to solve this 
> problem, and I am glad if anyone can help me.
> 
> Yours,
> Qing Lu
> ------------------------------------------------------------------------
> 	
> lq1998
> 1148330678 at qq.com
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216