Hi,<div> </div><div>I used to meet this problem either. My cp2k version is 2022.2 and complier version is gcc 10.3. At the first time my MPI is OpenMPI with the toolchain option --with-openmpi=install. Then I had the same problem with you. I have fixed this problem by using Intel MPI. I have some advice for you: 1. First check whether you have problem of memory leak.</div><div>2. Complie cp2k again and use Intel MPI by setting --with-openmpi=no. You can install Intel MPI by yourself from intel official.</div><div> </div><div>Tieyuan BIAN</div><div> </div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2023年4月26日星期三 UTC+8 15:31:14<SHWETA CHOUDHARY> 写道： </div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div lang="EN-IN" link="blue" vlink="#954F72" style="word-wrap:break-word"><div>Hello everyone, Can anybody please help me with the following error in my error file? I have recently installed cp2k 8.2 version using intel-minimal.psmp arch file with intel 2018 compiler, gcc and fftw. Please guide me with job script and compilation. forrtl: severe (174): SIGSEGV, segmentation fault occurredImage PC Routine Line Sourcecp2k.psmp 000000000981FE2D Unknown Unknown Unknownlibpthread-2.17.s 00007FE4F42D9630 Unknown Unknown Unknowncp2k.psmp 0000000002D1A2C1 ps_implicit_metho 240 ps_implicit_methods.Fcp2k.psmp 0000000002C3DDF3 pw_poisson_method 343 pw_poisson_methods.Fcp2k.psmp 0000000001037104 qs_ks_methods_mp_ 438 qs_ks_methods.Fcp2k.psmp 00000000010357E0 qs_ks_methods_mp_ 1223 qs_ks_methods.Fcp2k.psmp 0000000001B23BD9 qs_scf_mp_scf_env 462 qs_scf.Fcp2k.psmp 0000000001B1A269 qs_scf_mp_scf_ 233 qs_scf.Fcp2k.psmp 00000000010A8D6F qs_energy_mp_qs_e 92 qs_energy.Fcp2k.psmp 0000000001919CC1 qs_force_mp_qs_ca 116 qs_force.Fcp2k.psmp 000000000117BA3A force_env_methods 271 force_env_methods.Fcp2k.psmp 0000000000667A1C cp2k_runs_mp_run_ 352 cp2k_runs.Fcp2k.psmp 000000000065E192 MAIN__ 357 cp2k.Fcp2k.psmp 000000000065D50E Unknown Unknown Unknown<a href="http://libc-2.17.so" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=http://libc-2.17.so&source=gmail&ust=1682752803625000&usg=AOvVaw0FjsQpULtXbGzreJppyoyl">libc-2.17.so</a> 00007FE4F3839555 __libc_start_main Unknown Unknowncp2k.psmp 000000000065D429 Unknown Unknown Unknownsrun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Step created for job 113192srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy)srun: Job 113192 step creation still disabled, retrying (Requested nodes are busy) Many thanks!</div></div></blockquote></div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/88f62fc3-9e7d-4c24-85cd-8d8d3da4c369n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/88f62fc3-9e7d-4c24-85cd-8d8d3da4c369n%40googlegroups.com</a>.