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  1. > gmx -version
  2. ##Output##
  3. GROMACS:    gmx, VERSION 5.0.6
  5. GROMACS is written by:
  6. Emile Apol         Rossen Apostolov   Herman J.C. Berendsen Par Bjelkmar      
  7. Aldert van Buuren  Rudi van Drunen    Anton Feenstra     Sebastian Fritsch  
  8. Gerrit Groenhof    Christoph Junghans Peter Kasson       Carsten Kutzner    
  9. Per Larsson        Justin A. Lemkul   Magnus Lundborg    Pieter Meulenhoff  
  10. Erik Marklund      Teemu Murtola      Szilard Pall       Sander Pronk      
  11. Roland Schulz      Alexey Shvetsov    Michael Shirts     Alfons Sijbers    
  12. Peter Tieleman     Christian Wennberg Maarten Wolf      
  13. and the project leaders:
  14. Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
  16. Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  17. Copyright (c) 2001-2014, The GROMACS development team at
  18. Uppsala University, Stockholm University and
  19. the Royal Institute of Technology, Sweden.
  20. check out for more information.
  22. GROMACS is free software; you can redistribute it and/or modify it
  23. under the terms of the GNU Lesser General Public License
  24. as published by the Free Software Foundation; either version 2.1
  25. of the License, or (at your option) any later version.
  27. GROMACS:      gmx, VERSION 5.0.6
  28. Executable:   /usr/local/gromacs/bin/gmx
  29. Library dir:  /usr/local/gromacs/share/gromacs/top
  30. Command line:
  31.   gmx --version
  33. Gromacs version:    VERSION 5.0.6
  34. Precision:          single
  35. Memory model:       32 bit
  36. MPI library:        thread_mpi
  37. OpenMP support:     enabled
  38. GPU support:        disabled
  39. invsqrt routine:    gmx_software_invsqrt(x)
  40. SIMD instructions:  AVX2_256
  41. FFT library:        fftw-3.3.3-sse2
  42. RDTSCP usage:       enabled
  43. C++11 compilation:  enabled
  44. TNG support:        enabled
  45. Tracing support:    disabled
  46. Built on:           Thu Oct  1 09:51:11 EDT 2015
  47. Built by:           simon@researchBox [CMAKE]
  48. Build OS/arch:      Linux 3.19.0-26-generic i686
  49. Build CPU vendor:   GenuineIntel
  50. Build CPU brand:    Intel(R) Core(TM) i7-4550U CPU @ 1.50GHz
  51. Build CPU family:   6   Model: 69   Stepping: 1
  52. Build CPU features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt lahf_lm mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic
  53. C compiler:         /usr/bin/cc GNU 4.8.4
  54. C compiler flags:    -march=core-avx2    -Wno-maybe-uninitialized -Wextra -Wno-missing-field-initializers -Wno-sign-compare -Wpointer-arith -Wall -Wno-unused -Wunused-value -Wunused-parameter  -O3 -DNDEBUG -fomit-frame-pointer -funroll-all-loops -fexcess-precision=fast  -Wno-array-bounds
  55. C++ compiler:       /usr/bin/c++ GNU 4.8.4
  56. C++ compiler flags:  -march=core-avx2   -std=c++0x  -Wextra -Wno-missing-field-initializers -Wpointer-arith -Wall -Wno-unused-function  -O3 -DNDEBUG -fomit-frame-pointer -funroll-all-loops -fexcess-precision=fast  -Wno-array-bounds
  57. Boost version:      1.55.0 (internal)
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