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Dear Purinut,</div>
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in the eels calculation you put "restart = .true.", but you have not done a previous calculation from which to restart.</div>
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Try with restart = .false.</div>
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best ragards,</div>
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Oscar Baseggio<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of PURINUT SAE-FU <purinut.saf@student.mahidol.ac.th><br>
<b>Sent:</b> Sunday, July 30, 2023 3:16 PM<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> [QE-users] CRASH report in EELS calculation by using turbo_eels.x in QE7.2</font>
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Dear Quantum Espresso community</div>
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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</div>
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<span style="background-color:rgb(204,204,204)">Program received signal SIGSEGV: Segmentation fault - invalid memory reference.</span>
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<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">Backtrace for this error:</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#0 0x1470e7483d6f in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#1 0x1470e75b9d8e in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#2 0x1470e4622db8 in memcpy</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at /usr/include/bits/string_fortified.h:34</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#3 0x1470e4622db8 in cxip_txc_copy_from_hmem</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at ./prov/cxi/include/cxip.h:1874</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#4 0x1470e4622db8 in _cxip_send_eager_idc</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at prov/cxi/src/cxip_msg.c:4044</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#5 0x1470e4622db8 in _cxip_send_req</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at prov/cxi/src/cxip_msg.c:4246</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#6 0x1470e4627d1a in cxip_send_common</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at prov/cxi/src/cxip_msg.c:4700</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#7 0x1470e4627f54 in cxip_tinjectdata</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at prov/cxi/src/cxip_msg.c:4901</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#8 0x1470e65761a7 in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#9 0x1470e674d8b7 in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#10 0x1470e674e45e in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#11 0x1470e4bc7374 in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#12 0x1470e4bc8bd2 in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#13 0x1470e8d5fa44 in ???</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#14 0xbcb6ea in bcast_real_</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/UtilXlib/mp_base.f90:90</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#15 0xbc6bb7 in __mp_MOD_mp_bcast_cv</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/UtilXlib/mp.f90:647</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#16 0x426b8f in lr_restart_</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_restart.f90:166</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#17 0x408a9c in lr_eels_main</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:224</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">#18 0x40813c in main</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:19</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">srun: error: lanta-c-001: task 0: Segmentation fault (core dumped)</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">srun: Job step aborted: Waiting up to 32 seconds for job step to finish.</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">slurmstepd: error: *** STEP 376377.0 ON lanta-c-001 CANCELLED AT 2023-07-30T19:36:38 ***</span></div>
<div class="x_ContentPasted1"><span style="background-color:rgb(204,204,204)">slurmstepd: error: *** JOB 376377 ON lanta-c-001 CANCELLED AT 2023-07-30T19:36:38 ***</span></div>
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There is another system which the error also occurred as the following</div>
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<span style="background-color:rgb(204,204,204)">Program received signal SIGBUS: Access to an undefined portion of a memory object.</span>
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<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">Backtrace for this error:</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">#0 0x153b72a6dd6f in ???</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">#1 0x8536bc in __check_stop_MOD_check_stop_now</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/Modules/check_stop.f90:128</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">#2 0x408bf6 in lr_eels_main</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:267</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">#3 0x40813c in main</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)"> at /lustrefs/disk/modules/easybuild/software/QE/qe-7.2_cpu/TDDFPT/src/lr_eels_main.f90:19</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">srun: error: lanta-c-042: task 0: Bus error (core dumped)</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">srun: Job step aborted: Waiting up to 32 seconds for job step to finish.</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">slurmstepd: error: *** STEP 376379.0 ON lanta-c-042 CANCELLED AT 2023-07-29T12:10:24 DUE TO TIME LIMIT ***</span></div>
<div class="x_ContentPasted2"><span style="background-color:rgb(204,204,204)">slurmstepd: error: *** JOB 376379 ON lanta-c-042 CANCELLED AT 2023-07-29T12:10:24 DUE TO TIME LIMIT ***</span></div>
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I don't know what the root of this kind of error is. Therefore, I reported the cases to the forum.</div>
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This is the link for the input and output files.</div>
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<span><span><span><span><a href="https://studentmahidolac-my.sharepoint.com/:f:/g/personal/purinut_saf_student_mahidol_ac_th/EsZYVOaJ6alBtaE5RWHL9tgBi6mexgPGxM-ME6EuOUS6XA" rel="noopener noreferrer" id="OWA532df78f-c59f-e019-ea60-63189289854c" class="x_OWAAutoLink x_none" data-ogsc="">https://studentmahidolac-my.sharepoint.com/:f:/g/personal/purinut_saf_student_mahidol_ac_th/EsZYVOaJ6alBtaE5RWHL9tgBi6mexgPGxM-ME6EuOUS6XA</a></span><br>
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<span class=""><span><span><a href="https://studentmahidolac-my.sharepoint.com/:f:/g/personal/purinut_saf_student_mahidol_ac_th/Ei4Lf9clJHBHp3d2Nc5ym_EBa4cCYFYP6KUQy0DJLvdgSQ?e=Ir5CLL" rel="noopener noreferrer" id="OWA21300d65-7269-254b-7bfc-31fab8010f11" class="x_OWAAutoLink x_none" data-ogsc="">https://studentmahidolac-my.sharepoint.com/:f:/g/personal/purinut_saf_student_mahidol_ac_th/Ei4Lf9clJHBHp3d2Nc5ym_EBa4cCYFYP6KUQy0DJLvdgSQ?e=Ir5CLL</a></span></span><br>
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<span style="">Best Regards,</span><br>
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<div>PURINUT SAE-FU</div>
<div>Ph.D. Student, Department of Physics, Faculty of Science, Mahidol University, Thailand</div>
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