[gmx-users] Segmentation fault, core dumped error

Dallas Warren dallas.warren at monash.edu
Wed May 29 03:21:10 CEST 2019

Would be a good idea to provide the exact command line used, and a
copy of the exact output from the command.  Copy and paste the text,
don't type it out from memory.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a nail.

On Wed, 29 May 2019 at 09:31, Neena Susan Eappen
<neena.susaneappen at mail.utoronto.ca> wrote:
> Hello gromacs users,
> Is there a reason why segmentation fault appeared when gmx hbond command was used?
> Thank you,
> Neena
> ________________________________
> From: Neena Susan Eappen
> Sent: Friday, May 24, 2019 12:40 PM
> To: gromacs.org_gmx-users at maillist.sys.kth.se
> Subject: [gmx-users] Segmentation fault, core dumped error
> Hello gromacs users,
> I got an error message when I used gmx hbond command: Segmentation fault, core dumped. Shown below is my gmx version details (if that can point to my problem). Any insight would be appreciated.
> GROMACS version:        2018.4
> Precision:      single
> Memory model:   64 bit
> MPI library:    thread_mpi
> OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 64)
> GPU support:    disabled
> SIMD instructions:      AVX2_256
> FFT library:    fftw-3.3.8-sse2-avx-avx2-avx2_128-avx512
> RDTSCP usage:   enabled
> TNG support:    enabled
> Hwloc support:  disabled
> Tracing support:        disabled
> Built on:       2019-01-12 0:35
> Built by:       name at HP-PC [CMAKE]<mailto:name at HP-PC%20[CMAKE]>
> Build OS/arch:  Linux 4.4.0-17134-Microsoft x86_64
> Build CPU vendor:       Intel
> Build CPU brand:        Intel(R) Core(TM) i3-5010U CPU @ 2.10GHz
> Build CPU family:       6   Model: 61   Stepping: 4
> Build CPU features:     aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic
> C compiler:     /usr/bin/cc GNU 7.3.0
> C compiler flags:       march=core-AVX2     -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast
> C++ compiler:   /usr/bin/c++ GNU 7.3.0
> C++ compiler flags:     -march=core-avx2    -std=c++11   -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast
> Thank you,
> Neena
> --
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