[CP2K-user] [CP2K:18758] Re: segmentation fault in error file

[Shweta]

Thank you all for reply!

Dear Matthias, I got this error with ulimit -s unlimited settings. 

Dear  Tieyuan BIAN, can you please help to install cp2k with toolchain. I 
tried many time it always give me the error of OpenBLAS. I set 
--with-openblas=no, still it tries to download that. Then I install default 
Linux-intel-minimal.psmp file in ARCH directory by changing CFLAGS= *O3 *


*Can you please help to install via the toolchain or Linix-intel.psmp (not 
minimal) file?*
On Friday, 28 April 2023 at 12:55:49 UTC+5:30 Tieyuan Bian wrote:

> 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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