[CP2K-user] [CP2K:18722] Re: segmentation fault in error file

[Krack Matthias]

Hi

Possible causes for such segmentation faults could be insufficient stack sizes. Try to run in advance the following commands (bash):

  *   ulimit -s unlimited
  *   export OMP_STACKSIZE=16M

HTH

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of SHWETA CHOUDHARY <shwetaresearchsite at gmail.com>
Date: Wednesday, 26 April 2023 at 09:31
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:18721] segmentation fault in error file
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 occurred
Image              PC                Routine            Line        Source
cp2k.psmp          000000000981FE2D  Unknown               Unknown  Unknown
libpthread-2.17.s  00007FE4F42D9630  Unknown               Unknown  Unknown
cp2k.psmp          0000000002D1A2C1  ps_implicit_metho         240  ps_implicit_methods.F
cp2k.psmp          0000000002C3DDF3  pw_poisson_method         343  pw_poisson_methods.F
cp2k.psmp          0000000001037104  qs_ks_methods_mp_         438  qs_ks_methods.F
cp2k.psmp          00000000010357E0  qs_ks_methods_mp_        1223  qs_ks_methods.F
cp2k.psmp          0000000001B23BD9  qs_scf_mp_scf_env         462  qs_scf.F
cp2k.psmp          0000000001B1A269  qs_scf_mp_scf_            233  qs_scf.F
cp2k.psmp          00000000010A8D6F  qs_energy_mp_qs_e          92  qs_energy.F
cp2k.psmp          0000000001919CC1  qs_force_mp_qs_ca         116  qs_force.F
cp2k.psmp          000000000117BA3A  force_env_methods         271  force_env_methods.F
cp2k.psmp          0000000000667A1C  cp2k_runs_mp_run_         352  cp2k_runs.F
cp2k.psmp          000000000065E192  MAIN__                    357  cp2k.F
cp2k.psmp          000000000065D50E  Unknown               Unknown  Unknown
libc-2.17.so       00007FE4F3839555  __libc_start_main     Unknown  Unknown
cp2k.psmp          000000000065D429  Unknown               Unknown  Unknown
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: Job 113192 step creation still disabled, retrying (Requested nodes are busy)
srun: Step created for job 113192
srun: 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!
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