Project

General

Profile

version.txt

version info of the failing gromacs version - Daniel Bauer, 12/22/2017 01:22 PM

 
1
                       :-) GROMACS - gmx, 2018-beta1 (-:
2

    
3
                            GROMACS is written by:
4
     Emile Apol      Rossen Apostolov  Herman J.C. Berendsen    Par Bjelkmar   
5
 Aldert van Buuren   Rudi van Drunen     Anton Feenstra    Gerrit Groenhof  
6
 Christoph Junghans   Anca Hamuraru    Vincent Hindriksen Dimitrios Karkoulis
7
    Peter Kasson        Jiri Kraus      Carsten Kutzner      Per Larsson    
8
  Justin A. Lemkul   Magnus Lundborg   Pieter Meulenhoff    Erik Marklund   
9
   Teemu Murtola       Szilard Pall       Sander Pronk      Roland Schulz   
10
  Alexey Shvetsov     Michael Shirts     Alfons Sijbers     Peter Tieleman  
11
  Teemu Virolainen  Christian Wennberg    Maarten Wolf   
12
                           and the project leaders:
13
        Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel
14

    
15
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
16
Copyright (c) 2001-2017, The GROMACS development team at
17
Uppsala University, Stockholm University and
18
the Royal Institute of Technology, Sweden.
19
check out http://www.gromacs.org for more information.
20

    
21
GROMACS is free software; you can redistribute it and/or modify it
22
under the terms of the GNU Lesser General Public License
23
as published by the Free Software Foundation; either version 2.1
24
of the License, or (at your option) any later version.
25

    
26
GROMACS:      gmx, version 2018-beta1
27
Executable:   /opt/gromacs-cuda/bin/gmx
28
Data prefix:  /opt/gromacs-cuda
29
Working dir:  /scratch/membed_bug/g_membed/g_membed_issue
30
Command line:
31
  gmx --version
32

    
33
GROMACS version:    2018-beta1
34
Precision:          single
35
Memory model:       64 bit
36
MPI library:        thread_mpi
37
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
38
GPU support:        CUDA
39
SIMD instructions:  AVX_256
40
FFT library:        fftw-3.3.5-fma-sse2-avx-avx2-avx2_128-avx512
41
RDTSCP usage:       enabled
42
TNG support:        enabled
43
Hwloc support:      hwloc-1.11.0
44
Tracing support:    disabled
45
Built on:           2017-12-18 12:02:45
46
Built by:           bauer@bioinfo4 [CMAKE]
47
Build OS/arch:      Linux 4.14.6-1-ARCH x86_64
48
Build CPU vendor:   AMD
49
Build CPU brand:    AMD Ryzen 7 1700X Eight-Core Processor
50
Build CPU family:   23   Model: 1   Stepping: 1
51
Build CPU features: aes amd apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt lahf misalignsse mmx msr nonstop_tsc pclmuldq pdpe1gb popcnt pse rdrnd rdtscp sha sse2 sse3 sse4a sse4.1 sse4.2 ssse3
52
C compiler:         /usr/bin/gcc-5 GNU 5.4.0
53
C compiler flags:    -mavx     -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  
54
C++ compiler:       /usr/bin/g++-5 GNU 5.4.0
55
C++ compiler flags:  -mavx    -std=c++11   -O3 -DNDEBUG -funroll-all-loops -fexcess-precision=fast  
56
CUDA compiler:      /opt/cuda/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2017 NVIDIA Corporation;Built on Fri_Nov__3_21:07:56_CDT_2017;Cuda compilation tools, release 9.1, V9.1.85
57
CUDA compiler flags:-gencode;arch=compute_30,code=sm_30;-gencode;arch=compute_35,code=sm_35;-gencode;arch=compute_37,code=sm_37;-gencode;arch=compute_50,code=sm_50;-gencode;arch=compute_52,code=sm_52;-gencode;arch=compute_60,code=sm_60;-gencode;arch=compute_61,code=sm_61;-gencode;arch=compute_70,code=sm_70;-gencode;arch=compute_70,code=compute_70;-use_fast_math;-D_FORCE_INLINES;; ;-mavx;-std=c++11;-O3;-DNDEBUG;-funroll-all-loops;-fexcess-precision=fast;
58
CUDA driver:        9.10
59
CUDA runtime:       9.10
60