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
1148330...@qq.com
<https://wx.mail.qq.com/home/index?t=readmail_businesscard_midpage&nocheck=true&name=lq1998&icon=http%3A%2F%2Fthirdqq.qlogo.cn%2Fg%3Fb%3Doidb%26k%3DnAlU7tDw3a3nocdsLBEZ0w%26kti%3DZSIdLwAAAAA%26s%3D640%26t%3D1608227631&mail=1148330678%40qq.com&code=vu-r6llqRDfPnVFzvkV9IDNZDyJF2SqLzDMX6V3ESnRliznjLXDgHW0qv6MBvKBkTl_-0re_DZnkyIqf97_KKw>
_______________________________________________
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people and expresses its concerns about the devastating
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country and on the free and peaceful scientific, cultural,
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
