[CP2K-user] [CP2K:19212] Re: Signal 11 segmentation fault met with popt in cp2k-8.2

zhang tommy zhhyan100 at gmail.com
Tue Aug 29 08:43:13 UTC 2023

Finally, I reinstalled my OS to RockyLinux 9.2 and both ssmp and popt can 
be compiled and run normally. 

On Monday, 21 August 2023 at 16:08:32 UTC+8 zhang tommy wrote:

> Dear all, I'm a beginner. I just finished compiling cp2k and met an error 
> while running cp2k.popt for the first time with command 'mpirun -np 4 
> cp2k.popt ./test.inp' (Blue characters below are the full output)
> Primary job  terminated normally, but 1 process returned
> a non-zero exit code. Per user-direction, the job has been aborted.
> --------------------------------------------------------------------------
> --------------------------------------------------------------------------
> mpirun noticed that process rank 1 with PID 0 on node master exited on 
> signal 11 (Segmentation fault).
> cp2k.ssmp works fine with the same input file (see attachment - a simple 
> input file for PBE/DZVP-MOLOPT-SR-GTH single-point calculation of 2*2*2 
> diamond supercell generated by Multiwfn). I think maybe that's related to 
> openmpi, so I recompiled with mpich but still met signal 11 (Segmentation 
> fault).
> My system is CentOS7.6 with 24 cores  CPU  and I compiled with gcc8.3 
> through devtoolset-8. VASP which requires intelmpi was installed in this 
> system. I know the compatibility problem may occur, so I checked ~/.bashrc 
> and /etc/profile and guaranteed that 'source 
> /opt/intel/parallel_studio_xe_2020/psxevars.sh' has been removed, so that 
> 'which mpirun' can show the correct path for openmpi.
> 'ulimit -s unlimited' was also tried but not solving the problem.
> Finally, I checked /var/log/messages and found a detailed error message, 
> but I can't find more helpful information by search engines:
> kernel: cp2k.popt[#####]: segfault at fffffffffffffff8 ip 00007f1542035f7b 
> sp 00007ffcd6692510 error 5 in libstdc++.so.6.0.19[7f1541f77000+e9000]
> abrt-hook-ccpp: Process ##### (cp2k.psmp) of user #### killed by SIGSEGV - 
> dumping core
> Any help would be appreciated. Thanks! 

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