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
  14  * of the License, or (at your option) any later version.
  15  *
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  18  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  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         "Artem Zhmurov"
 153     };
 154     static const char * const CopyrightText[] = {
 155         "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
 156         "Copyright (c) 2001-2019, The GROMACS development team at",
 157         "Uppsala University, Stockholm University and",
 158         "the Royal Institute of Technology, Sweden.",
 159         "check out http://www.gromacs.org for more information."
 160     };
 161
 162 #define NCONTRIBUTORS static_cast<int>(asize(Contributors))
 163 #define NCR static_cast<int>(asize(CopyrightText))
 164
 165     // TODO a centering behaviour of TextWriter could be useful here
 166     writer->writeLine(formatCentered(78, "GROMACS is written by:"));
 167     for (int i = 0; i < NCONTRIBUTORS; )
 168     {
 169         for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
 170         {
 171             const int            width = 18;
 172             std::array<char, 30> buf;
 173             const int            offset = centeringOffset(width, strlen(Contributors[i]));
 174             GMX_RELEASE_ASSERT(static_cast<int>(strlen(Contributors[i])) + offset < gmx::ssize(buf),
 175                                "Formatting buffer is not long enough");
 176             std::fill(buf.begin(), buf.begin()+offset, ' ');
 177             std::strncpy(buf.data()+offset, Contributors[i], gmx::ssize(buf) - offset);
 178             writer->writeString(formatString(" %-*s", width, buf.data()));
 179         }
 180         writer->ensureLineBreak();
 181     }
 182     writer->writeLine(formatCentered(78, "and the project leaders:"));
 183     writer->writeLine(formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
 184     writer->ensureEmptyLine();
 185     for (int i = 0; i < NCR; ++i)
 186     {
 187         writer->writeLine(CopyrightText[i]);
 188     }
 189     writer->ensureEmptyLine();
 190
 191     // Folding At Home has different licence to allow digital
 192     // signatures in GROMACS, so does not need to show the normal
 193     // license statement.
 194     if (!GMX_FAHCORE)
 195     {
 196         writer->writeLine("GROMACS is free software; you can redistribute it and/or modify it");
 197         writer->writeLine("under the terms of the GNU Lesser General Public License");
 198         writer->writeLine("as published by the Free Software Foundation; either version 2.1");
 199         writer->writeLine("of the License, or (at your option) any later version.");
 200     }
 201 }
 202
 203 // Construct a string that describes the library that provides FFT support to this build
 204 const char *getFftDescriptionString()
 205 {
 206 // Define the FFT description string
 207 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
 208 #  if GMX_NATIVE_WINDOWS
 209     // Don't buy trouble
 210     return "fftw3";
 211 #  else
 212     // Use the version string provided by libfftw3
 213 #    if GMX_DOUBLE
 214     return fftw_version;
 215 #    else
 216     return fftwf_version;
 217 #    endif
 218 #  endif
 219 #endif
 220 #if GMX_FFT_MKL
 221     return "Intel MKL";
 222 #endif
 223 #if GMX_FFT_FFTPACK
 224     return "fftpack (built-in)";
 225 #endif
 226 };
 227
 228 void gmx_print_version_info(gmx::TextWriter *writer)
 229 {
 230     writer->writeLine(formatString("GROMACS version:    %s", gmx_version()));
 231     const char *const git_hash = gmx_version_git_full_hash();
 232     if (git_hash[0] != '\0')
 233     {
 234         writer->writeLine(formatString("GIT SHA1 hash:      %s", git_hash));
 235     }
 236     const char *const base_hash = gmx_version_git_central_base_hash();
 237     if (base_hash[0] != '\0')
 238     {
 239         writer->writeLine(formatString("Branched from:      %s", base_hash));
 240     }
 241
 242 #if GMX_DOUBLE
 243     writer->writeLine("Precision:          double");
 244 #else
 245     writer->writeLine("Precision:          single");
 246 #endif
 247     writer->writeLine(formatString("Memory model:       %u bit", static_cast<unsigned>(8*sizeof(void *))));
 248
 249 #if GMX_THREAD_MPI
 250     writer->writeLine("MPI library:        thread_mpi");
 251 #elif GMX_MPI
 252     writer->writeLine("MPI library:        MPI");
 253 #else
 254     writer->writeLine("MPI library:        none");
 255 #endif
 256 #if GMX_OPENMP
 257     writer->writeLine(formatString("OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = %d)", GMX_OPENMP_MAX_THREADS));
 258 #else
 259     writer->writeLine("OpenMP support:     disabled");
 260 #endif
 261     writer->writeLine(formatString("GPU support:        %s", getGpuImplementationString()));
 262     writer->writeLine(formatString("SIMD instructions:  %s", GMX_SIMD_STRING));
 263     writer->writeLine(formatString("FFT library:        %s", getFftDescriptionString()));
 264     writer->writeLine(formatString("RDTSCP usage:       %s", HAVE_RDTSCP ? "enabled" : "disabled"));
 265 #if GMX_USE_TNG
 266     writer->writeLine("TNG support:        enabled");
 267 #else
 268     writer->writeLine("TNG support:        disabled");
 269 #endif
 270 #if GMX_USE_HWLOC
 271     writer->writeLine(formatString("Hwloc support:      hwloc-%s", HWLOC_VERSION));
 272 #else
 273     writer->writeLine("Hwloc support:      disabled");
 274 #endif
 275 #if HAVE_EXTRAE
 276     unsigned major, minor, revision;
 277     Extrae_get_version(&major, &minor, &revision);
 278     writer->writeLine(formatString("Tracing support:    enabled. Using Extrae-%d.%d.%d", major, minor, revision));
 279 #else
 280     writer->writeLine("Tracing support:    disabled");
 281 #endif
 282
 283
 284     /* TODO: The below strings can be quite long, so it would be nice to wrap
 285      * them. Can wait for later, as the master branch has ready code to do all
 286      * that. */
 287     writer->writeLine(formatString("C compiler:         %s", BUILD_C_COMPILER));
 288     writer->writeLine(formatString("C compiler flags:   %s", BUILD_CFLAGS));
 289     writer->writeLine(formatString("C++ compiler:       %s", BUILD_CXX_COMPILER));
 290     writer->writeLine(formatString("C++ compiler flags: %s", BUILD_CXXFLAGS));
 291 #ifdef HAVE_LIBMKL
 292     /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
 293     writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.",
 294                                    __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
 295 #endif
 296 #if GMX_GPU == GMX_GPU_OPENCL
 297     writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
 298     writer->writeLine(formatString("OpenCL library:     %s", OPENCL_LIBRARY));
 299     writer->writeLine(formatString("OpenCL version:     %s", OPENCL_VERSION_STRING));
 300 #endif
 301 #if GMX_GPU == GMX_GPU_CUDA
 302     writer->writeLine(formatString("CUDA compiler:      %s", CUDA_COMPILER_INFO));
 303     writer->writeLine(formatString("CUDA compiler flags:%s", CUDA_COMPILER_FLAGS));
 304     writer->writeLine("CUDA driver:        " + gmx::getCudaDriverVersionString());
 305     writer->writeLine("CUDA runtime:       " + gmx::getCudaRuntimeVersionString());
 306 #endif
 307 }
 308
 309 //! \endcond
 310
 311 } // namespace
 312
 313 namespace gmx
 314 {
 315
 316 BinaryInformationSettings::BinaryInformationSettings()
 317     : bExtendedInfo_(false), bCopyright_(false),
 318       bProcessId_(false),
 319       bGeneratedByHeader_(false), prefix_(""), suffix_("")
 320 {
 321 }
 322
 323 void printBinaryInformation(FILE                  *fp,
 324                             const IProgramContext &programContext)
 325 {
 326     TextWriter writer(fp);
 327     printBinaryInformation(&writer, programContext, BinaryInformationSettings());
 328 }
 329
 330 void printBinaryInformation(FILE                            *fp,
 331                             const IProgramContext           &programContext,
 332                             const BinaryInformationSettings &settings)
 333 {
 334     try
 335     {
 336         TextWriter writer(fp);
 337         printBinaryInformation(&writer, programContext, settings);
 338     }
 339     GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
 340 }
 341
 342 void printBinaryInformation(TextWriter                      *writer,
 343                             const IProgramContext           &programContext,
 344                             const BinaryInformationSettings &settings)
 345 {
 346     // TODO Perhaps the writer could be configured with the prefix and
 347     // suffix strings from the settings?
 348     const char *prefix          = settings.prefix_;
 349     const char *suffix          = settings.suffix_;
 350     const char *precisionString = "";
 351 #if GMX_DOUBLE
 352     precisionString = " (double precision)";
 353 #endif
 354     const char *const name = programContext.displayName();
 355     if (settings.bGeneratedByHeader_)
 356     {
 357         writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
 358     }
 359     // TODO: It would be nice to know here whether we are really running a
 360     // Gromacs binary or some other binary that is calling Gromacs; we
 361     // could then print "%s is part of GROMACS" or some alternative text.
 362     std::string title
 363         = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
 364     const int   indent
 365         = centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
 366     writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
 367     writer->writeLine(formatString("%s%s", prefix, suffix));
 368     if (settings.bCopyright_)
 369     {
 370         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 371                            "Prefix/suffix not supported with copyright");
 372         printCopyright(writer);
 373         writer->ensureEmptyLine();
 374         // This line is printed again after the copyright notice to make it
 375         // appear together with all the other information, so that it is not
 376         // necessary to read stuff above the copyright notice.
 377         // The line above the copyright notice puts the copyright notice is
 378         // context, though.
 379         writer->writeLine(formatString("%sGROMACS:      %s, version %s%s%s", prefix, name,
 380                                        gmx_version(), precisionString, suffix));
 381     }
 382     const char *const binaryPath = programContext.fullBinaryPath();
 383     if (!gmx::isNullOrEmpty(binaryPath))
 384     {
 385         writer->writeLine(formatString("%sExecutable:   %s%s", prefix, binaryPath, suffix));
 386     }
 387     const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
 388     if (!gmx::isNullOrEmpty(installPrefix.path))
 389     {
 390         writer->writeLine(formatString("%sData prefix:  %s%s%s", prefix, installPrefix.path,
 391                                        installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
 392     }
 393     const std::string workingDir = Path::getWorkingDirectory();
 394     if (!workingDir.empty())
 395     {
 396         writer->writeLine(formatString("%sWorking dir:  %s%s", prefix, workingDir.c_str(), suffix));
 397     }
 398     if (settings.bProcessId_)
 399     {
 400         writer->writeLine(formatString("%sProcess ID:   %d%s", prefix, gmx_getpid(), suffix));
 401     }
 402     const char *const commandLine = programContext.commandLine();
 403     if (!gmx::isNullOrEmpty(commandLine))
 404     {
 405         writer->writeLine(formatString("%sCommand line:%s\n%s  %s%s",
 406                                        prefix, suffix, prefix, commandLine, suffix));
 407     }
 408     if (settings.bExtendedInfo_)
 409     {
 410         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 411                            "Prefix/suffix not supported with extended info");
 412         writer->ensureEmptyLine();
 413         gmx_print_version_info(writer);
 414     }
 415 }
 416
 417 } // namespace gmx