[QE-users] CRASH report in EELS calculation by using turbo_eels.x in QE7.2

[Oscar Baseggio]

Dear Purinut,
in the eels calculation you put "restart = .true.", but you have not done a previous calculation from which to restart.

Try with restart = .false.

best ragards,
Oscar Baseggio
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of PURINUT SAE-FU <purinut.saf at student.mahidol.ac.th>
Sent: Sunday, July 30, 2023 3:16 PM
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: [QE-users] CRASH report in EELS calculation by using turbo_eels.x in QE7.2

Dear Quantum Espresso community

I calculated the EELS function by using turbo_eels.x code in QE version 7.2. However, during the calculation, an error occurred as the following

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:
#0  0x1470e7483d6f in ???
#1  0x1470e75b9d8e in ???
#2  0x1470e4622db8 in memcpy
      at /usr/include/bits/string_fortified.h:34
#3  0x1470e4622db8 in cxip_txc_copy_from_hmem
      at ./prov/cxi/include/cxip.h:1874
#4  0x1470e4622db8 in _cxip_send_eager_idc
      at prov/cxi/src/cxip_msg.c:4044
#5  0x1470e4622db8 in _cxip_send_req
      at prov/cxi/src/cxip_msg.c:4246
#6  0x1470e4627d1a in cxip_send_common
      at prov/cxi/src/cxip_msg.c:4700
#7  0x1470e4627f54 in cxip_tinjectdata
      at prov/cxi/src/cxip_msg.c:4901
#8  0x1470e65761a7 in ???
#9  0x1470e674d8b7 in ???
#10  0x1470e674e45e in ???
#11  0x1470e4bc7374 in ???
#12  0x1470e4bc8bd2 in ???
#13  0x1470e8d5fa44 in ???
#14  0xbcb6ea in bcast_real_
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/UtilXlib/mp_base.f90:90
#15  0xbc6bb7 in __mp_MOD_mp_bcast_cv
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/UtilXlib/mp.f90:647
#16  0x426b8f in lr_restart_
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_restart.f90:166
#17  0x408a9c in lr_eels_main
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:224
#18  0x40813c in main
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:19
srun: error: lanta-c-001: task 0: Segmentation fault (core dumped)
srun: Job step aborted: Waiting up to 32 seconds for job step to finish.
slurmstepd: error: *** STEP 376377.0 ON lanta-c-001 CANCELLED AT 2023-07-30T19:36:38 ***
slurmstepd: error: *** JOB 376377 ON lanta-c-001 CANCELLED AT 2023-07-30T19:36:38 ***

There is another system which the error also occurred as the following

Program received signal SIGBUS: Access to an undefined portion of a memory object.

Backtrace for this error:
#0  0x153b72a6dd6f in ???
#1  0x8536bc in __check_stop_MOD_check_stop_now
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/Modules/check_stop.f90:128
#2  0x408bf6 in lr_eels_main
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:267
#3  0x40813c in main
      at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:19
srun: error: lanta-c-042: task 0: Bus error (core dumped)
srun: Job step aborted: Waiting up to 32 seconds for job step to finish.
slurmstepd: error: *** STEP 376379.0 ON lanta-c-042 CANCELLED AT 2023-07-29T12:10:24 DUE TO TIME LIMIT ***
slurmstepd: error: *** JOB 376379 ON lanta-c-042 CANCELLED AT 2023-07-29T12:10:24 DUE TO TIME LIMIT ***


I don't know what the root of this kind of error is. Therefore, I reported the cases to the forum.
This is the link for the input and output files.
https://studentmahidolac-my.sharepoint.com/:f:/g/personal/purinut_saf_student_mahidol_ac_th/EsZYVOaJ6alBtaE5RWHL9tgBi6mexgPGxM-ME6EuOUS6XA
https://studentmahidolac-my.sharepoint.com/:f:/g/personal/purinut_saf_student_mahidol_ac_th/Ei4Lf9clJHBHp3d2Nc5ym_EBa4cCYFYP6KUQy0DJLvdgSQ?e=Ir5CLL

Best Regards,

PURINUT SAE-FU
Ph.D. Student, Department of Physics, Faculty of Science, Mahidol University, Thailand


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