src/gromacs/utility/binaryinformation.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
   5  * Copyright (c) 2001-2004, The GROMACS development team.
   6  * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, by the GROMACS development team, led by
   7  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   8  * and including many others, as listed in the AUTHORS file in the
   9  * top-level source directory and at http://www.gromacs.org.
  10  *
  11  * GROMACS is free software; you can redistribute it and/or
  12  * modify it under the terms of the GNU Lesser General Public License
  13  * as published by the Free Software Foundation; either version 2.1
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  19  * Lesser General Public License for more details.
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  22  * License along with GROMACS; if not, see
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  34  * To help us fund GROMACS development, we humbly ask that you cite
  35  * the research papers on the package. Check out http://www.gromacs.org.
  36  */
  37 /*! \internal \file
  38  * \brief Implements functionality for printing information about the
  39  * currently running binary
  40  *
  41  * \ingroup module_utility
  42  */
  43 #include "gmxpre.h"
  44
  45 #include "binaryinformation.h"
  46
  47 #include "config.h"
  48
  49 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
  50 // Needed for construction of the FFT library description string
  51 #include <fftw3.h>
  52 #endif
  53
  54 #ifdef HAVE_LIBMKL
  55 #include <mkl.h>
  56 #endif
  57
  58 #if HAVE_EXTRAE
  59 #include <extrae_user_events.h>
  60 #endif
  61
  62 #if GMX_USE_HWLOC
  63 #include <hwloc.h>
  64 #endif
  65
  66 #include <cstdio>
  67 #include <cstdlib>
  68 #include <cstring>
  69
  70 #include <algorithm>
  71 #include <array>
  72 #include <string>
  73
  74 /* This file is completely threadsafe - keep it that way! */
  75
  76 #include "buildinfo.h"
  77 #include "gromacs/utility/arraysize.h"
  78 #include "gromacs/utility/baseversion.h"
  79 #include "gromacs/utility/exceptions.h"
  80 #include "gromacs/utility/gmxassert.h"
  81 #include "gromacs/utility/path.h"
  82 #include "gromacs/utility/programcontext.h"
  83 #include "gromacs/utility/stringutil.h"
  84 #include "gromacs/utility/sysinfo.h"
  85 #include "gromacs/utility/textwriter.h"
  86
  87 #include "cuda_version_information.h"
  88
  89 namespace
  90 {
  91
  92 using gmx::formatString;
  93
  94 //! \cond Doxygen does not need to care about most of this stuff, and the macro usage is painful to document
  95
  96 int centeringOffset(int width, int length)
  97 {
  98     return std::max(width - length, 0) / 2;
  99 }
 100
 101 std::string formatCentered(int width, const char *text)
 102 {
 103     const int offset = centeringOffset(width, std::strlen(text));
 104     return formatString("%*s%s", offset, "", text);
 105 }
 106
 107 void printCopyright(gmx::TextWriter *writer)
 108 {
 109     static const char * const Contributors[] = {
 110         "Emile Apol",
 111         "Rossen Apostolov",
 112         "Paul Bauer",
 113         "Herman J.C. Berendsen",
 114         "Par Bjelkmar",
 115         "Christian Blau",
 116         "Viacheslav Bolnykh",
 117         "Kevin Boyd",
 118         "Aldert van Buuren",
 119         "Rudi van Drunen",
 120         "Anton Feenstra",
 121         "Alan Gray",
 122         "Gerrit Groenhof",
 123         "Anca Hamuraru",
 124         "Vincent Hindriksen",
 125         "M. Eric Irrgang",
 126         "Aleksei Iupinov",
 127         "Christoph Junghans",
 128         "Joe Jordan",
 129         "Dimitrios Karkoulis",
 130         "Peter Kasson",
 131         "Jiri Kraus",
 132         "Carsten Kutzner",
 133         "Per Larsson",
 134         "Justin A. Lemkul",
 135         "Viveca Lindahl",
 136         "Magnus Lundborg",
 137         "Erik Marklund",
 138         "Pascal Merz",
 139         "Pieter Meulenhoff",
 140         "Teemu Murtola",
 141         "Szilard Pall",
 142         "Sander Pronk",
 143         "Roland Schulz",
 144         "Michael Shirts",
 145         "Alexey Shvetsov",
 146         "Alfons Sijbers",
 147         "Peter Tieleman",
 148         "Jon Vincent",
 149         "Teemu Virolainen",
 150         "Christian Wennberg",
 151         "Maarten Wolf"
 152     };
 153     static const char * const CopyrightText[] = {
 154         "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
 155         "Copyright (c) 2001-2018, The GROMACS development team at",
 156         "Uppsala University, Stockholm University and",
 157         "the Royal Institute of Technology, Sweden.",
 158         "check out http://www.gromacs.org for more information."
 159     };
 160
 161 #define NCONTRIBUTORS static_cast<int>(asize(Contributors))
 162 #define NCR static_cast<int>(asize(CopyrightText))
 163
 164     // TODO a centering behaviour of TextWriter could be useful here
 165     writer->writeLine(formatCentered(78, "GROMACS is written by:"));
 166     for (int i = 0; i < NCONTRIBUTORS; )
 167     {
 168         for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
 169         {
 170             const int            width = 18;
 171             std::array<char, 30> buf;
 172             const int            offset = centeringOffset(width, strlen(Contributors[i]));
 173             GMX_RELEASE_ASSERT(static_cast<int>(strlen(Contributors[i])) + offset < gmx::ssize(buf),
 174                                "Formatting buffer is not long enough");
 175             std::fill(buf.begin(), buf.begin()+offset, ' ');
 176             std::strncpy(buf.data()+offset, Contributors[i], gmx::ssize(buf) - offset);
 177             writer->writeString(formatString(" %-*s", width, buf.data()));
 178         }
 179         writer->ensureLineBreak();
 180     }
 181     writer->writeLine(formatCentered(78, "and the project leaders:"));
 182     writer->writeLine(formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
 183     writer->ensureEmptyLine();
 184     for (int i = 0; i < NCR; ++i)
 185     {
 186         writer->writeLine(CopyrightText[i]);
 187     }
 188     writer->ensureEmptyLine();
 189
 190     // Folding At Home has different licence to allow digital
 191     // signatures in GROMACS, so does not need to show the normal
 192     // license statement.
 193     if (!GMX_FAHCORE)
 194     {
 195         writer->writeLine("GROMACS is free software; you can redistribute it and/or modify it");
 196         writer->writeLine("under the terms of the GNU Lesser General Public License");
 197         writer->writeLine("as published by the Free Software Foundation; either version 2.1");
 198         writer->writeLine("of the License, or (at your option) any later version.");
 199     }
 200 }
 201
 202 // Construct a string that describes the library that provides FFT support to this build
 203 const char *getFftDescriptionString()
 204 {
 205 // Define the FFT description string
 206 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
 207 #  if GMX_NATIVE_WINDOWS
 208     // Don't buy trouble
 209     return "fftw3";
 210 #  else
 211     // Use the version string provided by libfftw3
 212 #    if GMX_DOUBLE
 213     return fftw_version;
 214 #    else
 215     return fftwf_version;
 216 #    endif
 217 #  endif
 218 #endif
 219 #if GMX_FFT_MKL
 220     return "Intel MKL";
 221 #endif
 222 #if GMX_FFT_FFTPACK
 223     return "fftpack (built-in)";
 224 #endif
 225 };
 226
 227 void gmx_print_version_info(gmx::TextWriter *writer)
 228 {
 229     writer->writeLine(formatString("GROMACS version:    %s", gmx_version()));
 230     const char *const git_hash = gmx_version_git_full_hash();
 231     if (git_hash[0] != '\0')
 232     {
 233         writer->writeLine(formatString("GIT SHA1 hash:      %s", git_hash));
 234     }
 235     const char *const base_hash = gmx_version_git_central_base_hash();
 236     if (base_hash[0] != '\0')
 237     {
 238         writer->writeLine(formatString("Branched from:      %s", base_hash));
 239     }
 240
 241 #if GMX_DOUBLE
 242     writer->writeLine("Precision:          double");
 243 #else
 244     writer->writeLine("Precision:          single");
 245 #endif
 246     writer->writeLine(formatString("Memory model:       %u bit", static_cast<unsigned>(8*sizeof(void *))));
 247
 248 #if GMX_THREAD_MPI
 249     writer->writeLine("MPI library:        thread_mpi");
 250 #elif GMX_MPI
 251     writer->writeLine("MPI library:        MPI");
 252 #else
 253     writer->writeLine("MPI library:        none");
 254 #endif
 255 #if GMX_OPENMP
 256     writer->writeLine(formatString("OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = %d)", GMX_OPENMP_MAX_THREADS));
 257 #else
 258     writer->writeLine("OpenMP support:     disabled");
 259 #endif
 260     writer->writeLine(formatString("GPU support:        %s", getGpuImplementationString()));
 261     writer->writeLine(formatString("SIMD instructions:  %s", GMX_SIMD_STRING));
 262     writer->writeLine(formatString("FFT library:        %s", getFftDescriptionString()));
 263     writer->writeLine(formatString("RDTSCP usage:       %s", HAVE_RDTSCP ? "enabled" : "disabled"));
 264 #if GMX_USE_TNG
 265     writer->writeLine("TNG support:        enabled");
 266 #else
 267     writer->writeLine("TNG support:        disabled");
 268 #endif
 269 #if GMX_USE_HWLOC
 270     writer->writeLine(formatString("Hwloc support:      hwloc-%s", HWLOC_VERSION));
 271 #else
 272     writer->writeLine("Hwloc support:      disabled");
 273 #endif
 274 #if HAVE_EXTRAE
 275     unsigned major, minor, revision;
 276     Extrae_get_version(&major, &minor, &revision);
 277     writer->writeLine(formatString("Tracing support:    enabled. Using Extrae-%d.%d.%d", major, minor, revision));
 278 #else
 279     writer->writeLine("Tracing support:    disabled");
 280 #endif
 281
 282
 283     /* TODO: The below strings can be quite long, so it would be nice to wrap
 284      * them. Can wait for later, as the master branch has ready code to do all
 285      * that. */
 286     writer->writeLine(formatString("C compiler:         %s", BUILD_C_COMPILER));
 287     writer->writeLine(formatString("C compiler flags:   %s", BUILD_CFLAGS));
 288     writer->writeLine(formatString("C++ compiler:       %s", BUILD_CXX_COMPILER));
 289     writer->writeLine(formatString("C++ compiler flags: %s", BUILD_CXXFLAGS));
 290 #ifdef HAVE_LIBMKL
 291     /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
 292     writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.",
 293                                    __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
 294 #endif
 295 #if GMX_GPU == GMX_GPU_OPENCL
 296     writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
 297     writer->writeLine(formatString("OpenCL library:     %s", OPENCL_LIBRARY));
 298     writer->writeLine(formatString("OpenCL version:     %s", OPENCL_VERSION_STRING));
 299 #endif
 300 #if GMX_GPU == GMX_GPU_CUDA
 301     writer->writeLine(formatString("CUDA compiler:      %s", CUDA_COMPILER_INFO));
 302     writer->writeLine(formatString("CUDA compiler flags:%s", CUDA_COMPILER_FLAGS));
 303     writer->writeLine("CUDA driver:        " + gmx::getCudaDriverVersionString());
 304     writer->writeLine("CUDA runtime:       " + gmx::getCudaRuntimeVersionString());
 305 #endif
 306 }
 307
 308 //! \endcond
 309
 310 } // namespace
 311
 312 namespace gmx
 313 {
 314
 315 BinaryInformationSettings::BinaryInformationSettings()
 316     : bExtendedInfo_(false), bCopyright_(false),
 317       bProcessId_(false),
 318       bGeneratedByHeader_(false), prefix_(""), suffix_("")
 319 {
 320 }
 321
 322 void printBinaryInformation(FILE                  *fp,
 323                             const IProgramContext &programContext)
 324 {
 325     TextWriter writer(fp);
 326     printBinaryInformation(&writer, programContext, BinaryInformationSettings());
 327 }
 328
 329 void printBinaryInformation(FILE                            *fp,
 330                             const IProgramContext           &programContext,
 331                             const BinaryInformationSettings &settings)
 332 {
 333     try
 334     {
 335         TextWriter writer(fp);
 336         printBinaryInformation(&writer, programContext, settings);
 337     }
 338     GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
 339 }
 340
 341 void printBinaryInformation(TextWriter                      *writer,
 342                             const IProgramContext           &programContext,
 343                             const BinaryInformationSettings &settings)
 344 {
 345     // TODO Perhaps the writer could be configured with the prefix and
 346     // suffix strings from the settings?
 347     const char *prefix          = settings.prefix_;
 348     const char *suffix          = settings.suffix_;
 349     const char *precisionString = "";
 350 #if GMX_DOUBLE
 351     precisionString = " (double precision)";
 352 #endif
 353     const char *const name = programContext.displayName();
 354     if (settings.bGeneratedByHeader_)
 355     {
 356         writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
 357     }
 358     // TODO: It would be nice to know here whether we are really running a
 359     // Gromacs binary or some other binary that is calling Gromacs; we
 360     // could then print "%s is part of GROMACS" or some alternative text.
 361     std::string title
 362         = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
 363     const int   indent
 364         = centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
 365     writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
 366     writer->writeLine(formatString("%s%s", prefix, suffix));
 367     if (settings.bCopyright_)
 368     {
 369         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 370                            "Prefix/suffix not supported with copyright");
 371         printCopyright(writer);
 372         writer->ensureEmptyLine();
 373         // This line is printed again after the copyright notice to make it
 374         // appear together with all the other information, so that it is not
 375         // necessary to read stuff above the copyright notice.
 376         // The line above the copyright notice puts the copyright notice is
 377         // context, though.
 378         writer->writeLine(formatString("%sGROMACS:      %s, version %s%s%s", prefix, name,
 379                                        gmx_version(), precisionString, suffix));
 380     }
 381     const char *const binaryPath = programContext.fullBinaryPath();
 382     if (!gmx::isNullOrEmpty(binaryPath))
 383     {
 384         writer->writeLine(formatString("%sExecutable:   %s%s", prefix, binaryPath, suffix));
 385     }
 386     const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
 387     if (!gmx::isNullOrEmpty(installPrefix.path))
 388     {
 389         writer->writeLine(formatString("%sData prefix:  %s%s%s", prefix, installPrefix.path,
 390                                        installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
 391     }
 392     const std::string workingDir = Path::getWorkingDirectory();
 393     if (!workingDir.empty())
 394     {
 395         writer->writeLine(formatString("%sWorking dir:  %s%s", prefix, workingDir.c_str(), suffix));
 396     }
 397     if (settings.bProcessId_)
 398     {
 399         writer->writeLine(formatString("%sProcess ID:   %d%s", prefix, gmx_getpid(), suffix));
 400     }
 401     const char *const commandLine = programContext.commandLine();
 402     if (!gmx::isNullOrEmpty(commandLine))
 403     {
 404         writer->writeLine(formatString("%sCommand line:%s\n%s  %s%s",
 405                                        prefix, suffix, prefix, commandLine, suffix));
 406     }
 407     if (settings.bExtendedInfo_)
 408     {
 409         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 410                            "Prefix/suffix not supported with extended info");
 411         writer->ensureEmptyLine();
 412         gmx_print_version_info(writer);
 413     }
 414 }
 415
 416 } // namespace gmx