md.log

Log file opened on Tue Aug 25 12:01:32 2015
Host: ubuntu  pid: 168549  rank ID: 0  number of ranks:  1
                    :-) GROMACS - mdrun_mpi, VERSION 5.1 (-:

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

Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2015, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.

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

GROMACS:      mdrun_mpi, VERSION 5.1
Executable:   /home/ibm/softwares/gromacs/xlc/fftw-altivec/omp1/flagO0//bin/mdrun_mpi
Data prefix:  /home/ibm/softwares/gromacs/xlc/fftw-altivec/omp1/flagO0
Command line:
  mdrun_mpi -c conf.gro -s topol.tpr -o

GROMACS version:    VERSION 5.1
Precision:          single
Memory model:       64 bit
MPI library:        MPI
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 32)
GPU support:        disabled
OpenCL support:     disabled
invsqrt routine:    gmx_software_invsqrt(x)
SIMD instructions:  IBM_VSX
FFT library:        fftw-3.3.4-fma-altivec
RDTSCP usage:       disabled
C++11 compilation:  enabled
TNG support:        enabled
Tracing support:    disabled
Built on:           Sat Aug 22 12:36:55 CDT 2015
Built by:           ibm@ubuntu [CMAKE]
Build OS/arch:      Linux 3.16.0-28-generic ppc64le
Build CPU vendor:   IBM
Build CPU brand:    POWER8E (raw), altivec supported
Build CPU family:   0   Model: 0   Stepping: 0
Build CPU features: VMX VSX
C compiler:         /usr/bin/mpixlc Clang 3.5.0
C compiler flags:    -qarch=auto -qaltivec   -qnoinline -O0 -qsmp=omp -Wall -Wno-unused -Wunused-value -Wunused-parameter  -O3 -DNDEBUG
C++ compiler:       /usr/bin/mpixlc++ Clang 3.5.0
C++ compiler flags:  -qarch=auto -qaltivec   -std=c++0x -qnoinline -O0 -qsmp=omp -Wextra -Wno-missing-field-initializers -Wpointer-arith -Wall -Wno-unused-function  -O3 -DNDEBUG
Boost version:      1.55.0 (external)