[CP2K-user] [CP2K:18738] Re: segmentation fault in error file

[Tieyuan Bian]

Hi,

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.
2. Complie cp2k again and use Intel MPI by setting --with-openmpi=no. You 
can install Intel MPI by yourself from intel official.

Tieyuan BIAN

在2023年4月26日星期三 UTC+8 15:31:14<SHWETA CHOUDHARY> 写道：

> 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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