起因是我给电脑加装了两根32G的内存条 然后运行CP2K就报错了 应该不是软件的问题 毕竟这电脑我已经用了一段时间了 只是给他加了内存条 我看了一下 系统对这几个内存条都是正确识别的 但是一提交任务就报错 也不是因为内存不够的原因 因为我之前跑过这任务 是没问题的 运行过程中我也在监测内存情况 是在内存还有100G的时候突然报错的 以下是报错信息
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0 0x14e547a54daf in ???
#1 0x34e2a85 in __pw_methods_MOD_pw_scatter_p._omp_fn.1
at /opt/2024/cp2k/src/pw/pw_methods.F:1913
#2 0x14e54815e175 in GOMP_parallel
at /opt/2024/cp2k/tools/toolchain/build/gcc-13.2.0/libgomp/parallel.c:178
#3 0x34f1abd in pw_scatter_p
at /opt/2024/cp2k/src/pw/pw_methods.F:1907
#4 0x34fa391 in fft_wrap_pw1pw2
at /opt/2024/cp2k/src/pw/pw_methods.F:2274
#5 0x3501d0f in __pw_methods_MOD_pw_transfer
at /opt/2024/cp2k/src/pw/pw_methods.F:1249
#6 0x158139d in __qs_ks_methods_MOD_qs_ks_build_kohn_sham_matrix
at /opt/2024/cp2k/src/qs_ks_methods.F:420
#7 0x1582d2f in rebuild_ks_matrix
at /opt/2024/cp2k/src/qs_ks_methods.F:1218
#8 0x1582d2f in __qs_ks_methods_MOD_qs_ks_update_qs_env
at /opt/2024/cp2k/src/qs_ks_methods.F:1114
#9 0x1fb5b3f in __qs_scf_MOD_scf_env_do_scf
at /opt/2024/cp2k/src/qs_scf.F:487
#10 0x1fc4a77 in __qs_scf_MOD_scf
at /opt/2024/cp2k/src/qs_scf.F:246
#11 0x1ab3c2b in __qs_energy_MOD_qs_energies
at /opt/2024/cp2k/src/qs_energy.F:112
#12 0x13ba661 in __force_env_methods_MOD_force_env_calc_energy_force
at /opt/2024/cp2k/src/force_env_methods.F:255
#13 0x9191e2 in cp2k_run
at /opt/2024/cp2k/src/start/cp2k_runs.F:359
#14 0x91bff1 in __cp2k_runs_MOD_run_input
at /opt/2024/cp2k/src/start/cp2k_runs.F:983
#15 0x905d6f in cp2k
at /opt/2024/cp2k/src/start/cp2k.F:379
#16 0x5bce4c in main
at /opt/2024/cp2k/src/start/cp2k.F:44