Hello,
can you please open a new issue on redmine.gromacs.org for this, and
upload your input files (if possible) and the command line you used that
caused the error?
Thanks
Paul
On 29/05/2019 01:31, Neena Susan Eappen 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@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@HP-PC [CMAKE]<mailto:name@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
--
Paul Bauer, PhD
GROMACS Release Manager
KTH Stockholm, SciLifeLab
0046737308594
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