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 [email protected] --------------------------------- 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 <[email protected]> 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: [email protected] > 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 > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
