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, 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  *
  16  * GROMACS is distributed in the hope that it will be useful,
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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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  21  * You should have received a copy of the GNU Lesser General Public
  22  * License along with GROMACS; if not, see
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  25  *
  26  * If you want to redistribute modifications to GROMACS, please
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  33  *
  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
  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 <string>
  72
  73 /* This file is completely threadsafe - keep it that way! */
  74
  75 #include "buildinfo.h"
  76 #include "gromacs/utility/arraysize.h"
  77 #include "gromacs/utility/baseversion.h"
  78 #include "gromacs/utility/exceptions.h"
  79 #include "gromacs/utility/gmxassert.h"
  80 #include "gromacs/utility/path.h"
  81 #include "gromacs/utility/programcontext.h"
  82 #include "gromacs/utility/stringutil.h"
  83 #include "gromacs/utility/textwriter.h"
  84
  85 #include "cuda_version_information.h"
  86
  87 namespace
  88 {
  89
  90 using gmx::formatString;
  91
  92 //! \cond Doxygen does not need to care about most of this stuff, and the macro usage is painful to document
  93
  94 int centeringOffset(int width, int length)
  95 {
  96     return std::max(width - length, 0) / 2;
  97 }
  98
  99 std::string formatCentered(int width, const char *text)
 100 {
 101     const int offset = centeringOffset(width, std::strlen(text));
 102     return formatString("%*s%s", offset, "", text);
 103 }
 104
 105 void printCopyright(gmx::TextWriter *writer)
 106 {
 107     static const char * const Contributors[] = {
 108         "Emile Apol",
 109         "Rossen Apostolov",
 110         "Paul Bauer",
 111         "Herman J.C. Berendsen",
 112         "Par Bjelkmar",
 113         "Aldert van Buuren",
 114         "Rudi van Drunen",
 115         "Anton Feenstra",
 116         "Gerrit Groenhof",
 117         "Aleksei Iupinov",
 118         "Christoph Junghans",
 119         "Anca Hamuraru",
 120         "Vincent Hindriksen",
 121         "Dimitrios Karkoulis",
 122         "Peter Kasson",
 123         "Jiri Kraus",
 124         "Carsten Kutzner",
 125         "Per Larsson",
 126         "Justin A. Lemkul",
 127         "Viveca Lindahl",
 128         "Magnus Lundborg",
 129         "Pieter Meulenhoff",
 130         "Erik Marklund",
 131         "Teemu Murtola",
 132         "Szilard Pall",
 133         "Sander Pronk",
 134         "Roland Schulz",
 135         "Alexey Shvetsov",
 136         "Michael Shirts",
 137         "Alfons Sijbers",
 138         "Peter Tieleman",
 139         "Teemu Virolainen",
 140         "Christian Wennberg",
 141         "Maarten Wolf"
 142     };
 143     static const char * const CopyrightText[] = {
 144         "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
 145         "Copyright (c) 2001-2017, The GROMACS development team at",
 146         "Uppsala University, Stockholm University and",
 147         "the Royal Institute of Technology, Sweden.",
 148         "check out http://www.gromacs.org for more information."
 149     };
 150     static const char * const LicenseText[] = {
 151         "GROMACS is free software; you can redistribute it and/or modify it",
 152         "under the terms of the GNU Lesser General Public License",
 153         "as published by the Free Software Foundation; either version 2.1",
 154         "of the License, or (at your option) any later version."
 155     };
 156
 157 #define NCONTRIBUTORS static_cast<int>(asize(Contributors))
 158 #define NCR static_cast<int>(asize(CopyrightText))
 159
 160 // FAH has an exception permission from LGPL to allow digital signatures in Gromacs.
 161 #ifdef GMX_FAHCORE
 162 #define NLICENSE 0
 163 #else
 164 #define NLICENSE static_cast<int>(asize(LicenseText))
 165 #endif
 166
 167     // TODO a centering behaviour of TextWriter could be useful here
 168     writer->writeLine(formatCentered(78, "GROMACS is written by:"));
 169     for (int i = 0; i < NCONTRIBUTORS; )
 170     {
 171         for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
 172         {
 173             const int width = 18;
 174             char      buf[30];
 175             const int offset = centeringOffset(width, strlen(Contributors[i]));
 176             GMX_RELEASE_ASSERT(strlen(Contributors[i]) + offset < asize(buf),
 177                                "Formatting buffer is not long enough");
 178             std::fill(buf, buf+width, ' ');
 179             std::strcpy(buf+offset, Contributors[i]);
 180             writer->writeString(formatString(" %-*s", width, buf));
 181         }
 182         writer->ensureLineBreak();
 183     }
 184     writer->writeLine(formatCentered(78, "and the project leaders:"));
 185     writer->writeLine(formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
 186     writer->ensureEmptyLine();
 187     for (int i = 0; i < NCR; ++i)
 188     {
 189         writer->writeLine(CopyrightText[i]);
 190     }
 191     writer->ensureEmptyLine();
 192     for (int i = 0; i < NLICENSE; ++i)
 193     {
 194         writer->writeLine(LicenseText[i]);
 195     }
 196 }
 197
 198 // Construct a string that describes the library that provides FFT support to this build
 199 const char *getFftDescriptionString()
 200 {
 201 // Define the FFT description string
 202 #if GMX_FFT_FFTW3
 203 #  if GMX_NATIVE_WINDOWS
 204     // Don't buy trouble
 205     return "fftw3";
 206 #  else
 207     // Use the version string provided by libfftw3
 208 #    if GMX_DOUBLE
 209     return fftw_version;
 210 #    else
 211     return fftwf_version;
 212 #    endif
 213 #  endif
 214 #endif
 215 #if GMX_FFT_MKL
 216     return "Intel MKL";
 217 #endif
 218 #if GMX_FFT_FFTPACK
 219     return "fftpack (built-in)";
 220 #endif
 221 };
 222
 223 void gmx_print_version_info(gmx::TextWriter *writer)
 224 {
 225     writer->writeLine(formatString("GROMACS version:    %s", gmx_version()));
 226     const char *const git_hash = gmx_version_git_full_hash();
 227     if (git_hash[0] != '\0')
 228     {
 229         writer->writeLine(formatString("GIT SHA1 hash:      %s", git_hash));
 230     }
 231     const char *const base_hash = gmx_version_git_central_base_hash();
 232     if (base_hash[0] != '\0')
 233     {
 234         writer->writeLine(formatString("Branched from:      %s", base_hash));
 235     }
 236
 237 #if GMX_DOUBLE
 238     writer->writeLine("Precision:          double");
 239 #else
 240     writer->writeLine("Precision:          single");
 241 #endif
 242     writer->writeLine(formatString("Memory model:       %u bit", static_cast<unsigned>(8*sizeof(void *))));
 243
 244 #if GMX_THREAD_MPI
 245     writer->writeLine("MPI library:        thread_mpi");
 246 #elif GMX_MPI
 247     writer->writeLine("MPI library:        MPI");
 248 #else
 249     writer->writeLine("MPI library:        none");
 250 #endif
 251 #if GMX_OPENMP
 252     writer->writeLine(formatString("OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = %d)", GMX_OPENMP_MAX_THREADS));
 253 #else
 254     writer->writeLine("OpenMP support:     disabled");
 255 #endif
 256     writer->writeLine(formatString("GPU support:        %s", getGpuImplementationString()));
 257     writer->writeLine(formatString("SIMD instructions:  %s", GMX_SIMD_STRING));
 258     writer->writeLine(formatString("FFT library:        %s", getFftDescriptionString()));
 259     writer->writeLine(formatString("RDTSCP usage:       %s", HAVE_RDTSCP ? "enabled" : "disabled"));
 260 #if GMX_USE_TNG
 261     writer->writeLine("TNG support:        enabled");
 262 #else
 263     writer->writeLine("TNG support:        disabled");
 264 #endif
 265 #if GMX_USE_HWLOC
 266     writer->writeLine(formatString("Hwloc support:      hwloc-%s", HWLOC_VERSION));
 267 #else
 268     writer->writeLine("Hwloc support:      disabled");
 269 #endif
 270 #if HAVE_EXTRAE
 271     unsigned major, minor, revision;
 272     Extrae_get_version(&major, &minor, &revision);
 273     writer->writeLine(formatString("Tracing support:    enabled. Using Extrae-%d.%d.%d", major, minor, revision));
 274 #else
 275     writer->writeLine("Tracing support:    disabled");
 276 #endif
 277
 278
 279     writer->writeLine(formatString("Built on:           %s", BUILD_TIME));
 280     writer->writeLine(formatString("Built by:           %s", BUILD_USER));
 281     writer->writeLine(formatString("Build OS/arch:      %s", BUILD_HOST));
 282     writer->writeLine(formatString("Build CPU vendor:   %s", BUILD_CPU_VENDOR));
 283     writer->writeLine(formatString("Build CPU brand:    %s", BUILD_CPU_BRAND));
 284     writer->writeLine(formatString("Build CPU family:   %d   Model: %d   Stepping: %d",
 285                                    BUILD_CPU_FAMILY, BUILD_CPU_MODEL, BUILD_CPU_STEPPING));
 286     /* TODO: The below strings can be quite long, so it would be nice to wrap
 287      * them. Can wait for later, as the master branch has ready code to do all
 288      * that. */
 289     writer->writeLine(formatString("Build CPU features: %s", BUILD_CPU_FEATURES));
 290     writer->writeLine(formatString("C compiler:         %s", BUILD_C_COMPILER));
 291     writer->writeLine(formatString("C compiler flags:   %s", BUILD_CFLAGS));
 292     writer->writeLine(formatString("C++ compiler:       %s", BUILD_CXX_COMPILER));
 293     writer->writeLine(formatString("C++ compiler flags: %s", BUILD_CXXFLAGS));
 294 #ifdef HAVE_LIBMKL
 295     /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
 296     writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.",
 297                                    __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
 298 #endif
 299 #if GMX_GPU == GMX_GPU_OPENCL
 300     writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
 301     writer->writeLine(formatString("OpenCL library:     %s", OPENCL_LIBRARY));
 302     writer->writeLine(formatString("OpenCL version:     %s", OPENCL_VERSION_STRING));
 303 #endif
 304 #if GMX_GPU == GMX_GPU_CUDA
 305     writer->writeLine(formatString("CUDA compiler:      %s", CUDA_COMPILER_INFO));
 306     writer->writeLine(formatString("CUDA compiler flags:%s", CUDA_COMPILER_FLAGS));
 307     writer->writeLine("CUDA driver:        " + gmx::getCudaDriverVersionString());
 308     writer->writeLine("CUDA runtime:       " + gmx::getCudaRuntimeVersionString());
 309 #endif
 310 }
 311
 312 //! \endcond
 313
 314 } // namespace
 315
 316 namespace gmx
 317 {
 318
 319 BinaryInformationSettings::BinaryInformationSettings()
 320     : bExtendedInfo_(false), bCopyright_(false),
 321       bGeneratedByHeader_(false), prefix_(""), suffix_("")
 322 {
 323 }
 324
 325 void printBinaryInformation(FILE                  *fp,
 326                             const IProgramContext &programContext)
 327 {
 328     TextWriter writer(fp);
 329     printBinaryInformation(&writer, programContext, BinaryInformationSettings());
 330 }
 331
 332 void printBinaryInformation(FILE                            *fp,
 333                             const IProgramContext           &programContext,
 334                             const BinaryInformationSettings &settings)
 335 {
 336     try
 337     {
 338         TextWriter writer(fp);
 339         printBinaryInformation(&writer, programContext, settings);
 340     }
 341     GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
 342 }
 343
 344 void printBinaryInformation(TextWriter                      *writer,
 345                             const IProgramContext           &programContext,
 346                             const BinaryInformationSettings &settings)
 347 {
 348     // TODO Perhaps the writer could be configured with the prefix and
 349     // suffix strings from the settings?
 350     const char *prefix          = settings.prefix_;
 351     const char *suffix          = settings.suffix_;
 352     const char *precisionString = "";
 353 #if GMX_DOUBLE
 354     precisionString = " (double precision)";
 355 #endif
 356     const char *const name = programContext.displayName();
 357     if (settings.bGeneratedByHeader_)
 358     {
 359         writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
 360     }
 361     // TODO: It would be nice to know here whether we are really running a
 362     // Gromacs binary or some other binary that is calling Gromacs; we
 363     // could then print "%s is part of GROMACS" or some alternative text.
 364     std::string title
 365         = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
 366     const int   indent
 367         = centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
 368     writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
 369     writer->writeLine(formatString("%s%s", prefix, suffix));
 370     if (settings.bCopyright_)
 371     {
 372         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 373                            "Prefix/suffix not supported with copyright");
 374         printCopyright(writer);
 375         writer->ensureEmptyLine();
 376         // This line is printed again after the copyright notice to make it
 377         // appear together with all the other information, so that it is not
 378         // necessary to read stuff above the copyright notice.
 379         // The line above the copyright notice puts the copyright notice is
 380         // context, though.
 381         writer->writeLine(formatString("%sGROMACS:      %s, version %s%s%s", prefix, name,
 382                                        gmx_version(), precisionString, suffix));
 383     }
 384     const char *const binaryPath = programContext.fullBinaryPath();
 385     if (!gmx::isNullOrEmpty(binaryPath))
 386     {
 387         writer->writeLine(formatString("%sExecutable:   %s%s", prefix, binaryPath, suffix));
 388     }
 389     const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
 390     if (!gmx::isNullOrEmpty(installPrefix.path))
 391     {
 392         writer->writeLine(formatString("%sData prefix:  %s%s%s", prefix, installPrefix.path,
 393                                        installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
 394     }
 395     const std::string workingDir = Path::getWorkingDirectory();
 396     if (!workingDir.empty())
 397     {
 398         writer->writeLine(formatString("%sWorking dir:  %s%s", prefix, workingDir.c_str(), suffix));
 399     }
 400     const char *const commandLine = programContext.commandLine();
 401     if (!gmx::isNullOrEmpty(commandLine))
 402     {
 403         writer->writeLine(formatString("%sCommand line:%s\n%s  %s%s",
 404                                        prefix, suffix, prefix, commandLine, suffix));
 405     }
 406     if (settings.bExtendedInfo_)
 407     {
 408         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 409                            "Prefix/suffix not supported with extended info");
 410         writer->ensureEmptyLine();
 411         gmx_print_version_info(writer);
 412     }
 413 }
 414
 415 } // namespace gmx