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 <[email protected]> on behalf of PURINUT SAE-FU <[email protected]> Sent: Sunday, July 30, 2023 3:16 PM To: [email protected] <[email protected]> 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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