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, 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,
  17  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  18  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  19  * Lesser General Public License for more details.
  20  *
  21  * You should have received a copy of the GNU Lesser General Public
  22  * License along with GROMACS; if not, see
  23  * http://www.gnu.org/licenses, or write to the Free Software Foundation,
  24  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  25  *
  26  * If you want to redistribute modifications to GROMACS, please
  27  * consider that scientific software is very special. Version
  28  * control is crucial - bugs must be traceable. We will be happy to
  29  * consider code for inclusion in the official distribution, but
  30  * derived work must not be called official GROMACS. Details are found
  31  * in the README & COPYING files - if they are missing, get the
  32  * official version at http://www.gromacs.org.
  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_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         "Herman J.C. Berendsen",
 111         "Par Bjelkmar",
 112         "Aldert van Buuren",
 113         "Rudi van Drunen",
 114         "Anton Feenstra",
 115         "Gerrit Groenhof",
 116         "Christoph Junghans",
 117         "Anca Hamuraru",
 118         "Vincent Hindriksen",
 119         "Dimitrios Karkoulis",
 120         "Peter Kasson",
 121         "Jiri Kraus",
 122         "Carsten Kutzner",
 123         "Per Larsson",
 124         "Justin A. Lemkul",
 125         "Magnus Lundborg",
 126         "Pieter Meulenhoff",
 127         "Erik Marklund",
 128         "Teemu Murtola",
 129         "Szilard Pall",
 130         "Sander Pronk",
 131         "Roland Schulz",
 132         "Alexey Shvetsov",
 133         "Michael Shirts",
 134         "Alfons Sijbers",
 135         "Peter Tieleman",
 136         "Teemu Virolainen",
 137         "Christian Wennberg",
 138         "Maarten Wolf"
 139     };
 140     static const char * const CopyrightText[] = {
 141         "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
 142         "Copyright (c) 2001-2017, The GROMACS development team at",
 143         "Uppsala University, Stockholm University and",
 144         "the Royal Institute of Technology, Sweden.",
 145         "check out http://www.gromacs.org for more information."
 146     };
 147     static const char * const LicenseText[] = {
 148         "GROMACS is free software; you can redistribute it and/or modify it",
 149         "under the terms of the GNU Lesser General Public License",
 150         "as published by the Free Software Foundation; either version 2.1",
 151         "of the License, or (at your option) any later version."
 152     };
 153
 154 #define NCONTRIBUTORS (int)asize(Contributors)
 155 #define NCR (int)asize(CopyrightText)
 156
 157 // FAH has an exception permission from LGPL to allow digital signatures in Gromacs.
 158 #ifdef GMX_FAHCORE
 159 #define NLICENSE 0
 160 #else
 161 #define NLICENSE (int)asize(LicenseText)
 162 #endif
 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             char      buf[30];
 172             const int offset = centeringOffset(width, strlen(Contributors[i]));
 173             GMX_RELEASE_ASSERT(strlen(Contributors[i]) + offset < asize(buf),
 174                                "Formatting buffer is not long enough");
 175             std::fill(buf, buf+width, ' ');
 176             std::strcpy(buf+offset, Contributors[i]);
 177             writer->writeString(formatString(" %-*s", width, buf));
 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     for (int i = 0; i < NLICENSE; ++i)
 190     {
 191         writer->writeLine(LicenseText[i]);
 192     }
 193 }
 194
 195 // Construct a string that describes the library that provides FFT support to this build
 196 const char *getFftDescriptionString()
 197 {
 198 // Define the FFT description string
 199 #if GMX_FFT_FFTW3
 200 #  if GMX_NATIVE_WINDOWS
 201     // Don't buy trouble
 202     return "fftw3";
 203 #  else
 204     // Use the version string provided by libfftw3
 205 #    if GMX_DOUBLE
 206     return fftw_version;
 207 #    else
 208     return fftwf_version;
 209 #    endif
 210 #  endif
 211 #endif
 212 #if GMX_FFT_MKL
 213     return "Intel MKL";
 214 #endif
 215 #if GMX_FFT_FFTPACK
 216     return "fftpack (built-in)";
 217 #endif
 218 };
 219
 220 void gmx_print_version_info(gmx::TextWriter *writer)
 221 {
 222     writer->writeLine(formatString("GROMACS version:    %s", gmx_version()));
 223     const char *const git_hash = gmx_version_git_full_hash();
 224     if (git_hash[0] != '\0')
 225     {
 226         writer->writeLine(formatString("GIT SHA1 hash:      %s", git_hash));
 227     }
 228     const char *const base_hash = gmx_version_git_central_base_hash();
 229     if (base_hash[0] != '\0')
 230     {
 231         writer->writeLine(formatString("Branched from:      %s", base_hash));
 232     }
 233
 234 #if GMX_DOUBLE
 235     writer->writeLine("Precision:          double");
 236 #else
 237     writer->writeLine("Precision:          single");
 238 #endif
 239     writer->writeLine(formatString("Memory model:       %u bit", (unsigned)(8*sizeof(void *))));
 240
 241 #if GMX_THREAD_MPI
 242     writer->writeLine("MPI library:        thread_mpi");
 243 #elif GMX_MPI
 244     writer->writeLine("MPI library:        MPI");
 245 #else
 246     writer->writeLine("MPI library:        none");
 247 #endif
 248 #if GMX_OPENMP
 249     writer->writeLine(formatString("OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = %d)", GMX_OPENMP_MAX_THREADS));
 250 #else
 251     writer->writeLine("OpenMP support:     disabled");
 252 #endif
 253     writer->writeLine(formatString("GPU support:        %s", getGpuImplementationString()));
 254     writer->writeLine(formatString("SIMD instructions:  %s", GMX_SIMD_STRING));
 255     writer->writeLine(formatString("FFT library:        %s", getFftDescriptionString()));
 256 #ifdef HAVE_RDTSCP
 257     writer->writeLine("RDTSCP usage:       enabled");
 258 #else
 259     writer->writeLine("RDTSCP usage:       disabled");
 260 #endif
 261 #ifdef GMX_USE_TNG
 262     writer->writeLine("TNG support:        enabled");
 263 #else
 264     writer->writeLine("TNG support:        disabled");
 265 #endif
 266 #if GMX_HWLOC
 267     writer->writeLine(formatString("Hwloc support:      hwloc-%d.%d.%d",
 268                                    HWLOC_API_VERSION>>16,
 269                                    (HWLOC_API_VERSION>>8) & 0xFF,
 270                                    HWLOC_API_VERSION & 0xFF));
 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     writer->writeLine(formatString("Built on:           %s", BUILD_TIME));
 284     writer->writeLine(formatString("Built by:           %s", BUILD_USER));
 285     writer->writeLine(formatString("Build OS/arch:      %s", BUILD_HOST));
 286     writer->writeLine(formatString("Build CPU vendor:   %s", BUILD_CPU_VENDOR));
 287     writer->writeLine(formatString("Build CPU brand:    %s", BUILD_CPU_BRAND));
 288     writer->writeLine(formatString("Build CPU family:   %d   Model: %d   Stepping: %d",
 289                                    BUILD_CPU_FAMILY, BUILD_CPU_MODEL, BUILD_CPU_STEPPING));
 290     /* TODO: The below strings can be quite long, so it would be nice to wrap
 291      * them. Can wait for later, as the master branch has ready code to do all
 292      * that. */
 293     writer->writeLine(formatString("Build CPU features: %s", BUILD_CPU_FEATURES));
 294     writer->writeLine(formatString("C compiler:         %s", BUILD_C_COMPILER));
 295     writer->writeLine(formatString("C compiler flags:   %s", BUILD_CFLAGS));
 296     writer->writeLine(formatString("C++ compiler:       %s", BUILD_CXX_COMPILER));
 297     writer->writeLine(formatString("C++ compiler flags: %s", BUILD_CXXFLAGS));
 298 #ifdef HAVE_LIBMKL
 299     /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
 300     writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.",
 301                                    __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
 302 #endif
 303 #if GMX_GPU == GMX_GPU_OPENCL
 304     writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
 305     writer->writeLine(formatString("OpenCL library:     %s", OPENCL_LIBRARY));
 306     writer->writeLine(formatString("OpenCL version:     %s", OPENCL_VERSION_STRING));
 307 #endif
 308 #if GMX_GPU == GMX_GPU_CUDA
 309     writer->writeLine(formatString("CUDA compiler:      %s\n", CUDA_NVCC_COMPILER_INFO));
 310     writer->writeLine(formatString("CUDA compiler flags:%s\n", CUDA_NVCC_COMPILER_FLAGS));
 311     auto driverVersion = gmx::getCudaDriverVersion();
 312     writer->writeLine(formatString("CUDA driver:        %d.%d\n", driverVersion.first, driverVersion.second));
 313     auto runtimeVersion = gmx::getCudaRuntimeVersion();
 314     writer->writeLine(formatString("CUDA runtime:       %d.%d\n", runtimeVersion.first, runtimeVersion.second));
 315 #endif
 316 }
 317
 318 //! \endcond
 319
 320 } // namespace
 321
 322 namespace gmx
 323 {
 324
 325 BinaryInformationSettings::BinaryInformationSettings()
 326     : bExtendedInfo_(false), bCopyright_(false),
 327       bGeneratedByHeader_(false), prefix_(""), suffix_("")
 328 {
 329 }
 330
 331 void printBinaryInformation(FILE                  *fp,
 332                             const IProgramContext &programContext)
 333 {
 334     TextWriter writer(fp);
 335     printBinaryInformation(&writer, programContext, BinaryInformationSettings());
 336 }
 337
 338 void printBinaryInformation(FILE                            *fp,
 339                             const IProgramContext           &programContext,
 340                             const BinaryInformationSettings &settings)
 341 {
 342     try
 343     {
 344         TextWriter writer(fp);
 345         printBinaryInformation(&writer, programContext, settings);
 346     }
 347     GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
 348 }
 349
 350 void printBinaryInformation(TextWriter                      *writer,
 351                             const IProgramContext           &programContext,
 352                             const BinaryInformationSettings &settings)
 353 {
 354     // TODO Perhaps the writer could be configured with the prefix and
 355     // suffix strings from the settings?
 356     const char *prefix          = settings.prefix_;
 357     const char *suffix          = settings.suffix_;
 358     const char *precisionString = "";
 359 #if GMX_DOUBLE
 360     precisionString = " (double precision)";
 361 #endif
 362     const char *const name = programContext.displayName();
 363     if (settings.bGeneratedByHeader_)
 364     {
 365         writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
 366     }
 367     // TODO: It would be nice to know here whether we are really running a
 368     // Gromacs binary or some other binary that is calling Gromacs; we
 369     // could then print "%s is part of GROMACS" or some alternative text.
 370     std::string title
 371         = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
 372     const int   indent
 373         = centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
 374     writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
 375     writer->writeLine(formatString("%s%s", prefix, suffix));
 376     if (settings.bCopyright_)
 377     {
 378         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 379                            "Prefix/suffix not supported with copyright");
 380         printCopyright(writer);
 381         writer->ensureEmptyLine();
 382         // This line is printed again after the copyright notice to make it
 383         // appear together with all the other information, so that it is not
 384         // necessary to read stuff above the copyright notice.
 385         // The line above the copyright notice puts the copyright notice is
 386         // context, though.
 387         writer->writeLine(formatString("%sGROMACS:      %s, version %s%s%s", prefix, name,
 388                                        gmx_version(), precisionString, suffix));
 389     }
 390     const char *const binaryPath = programContext.fullBinaryPath();
 391     if (!gmx::isNullOrEmpty(binaryPath))
 392     {
 393         writer->writeLine(formatString("%sExecutable:   %s%s", prefix, binaryPath, suffix));
 394     }
 395     const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
 396     if (!gmx::isNullOrEmpty(installPrefix.path))
 397     {
 398         writer->writeLine(formatString("%sData prefix:  %s%s%s", prefix, installPrefix.path,
 399                                        installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
 400     }
 401     const std::string workingDir = Path::getWorkingDirectory();
 402     if (!workingDir.empty())
 403     {
 404         writer->writeLine(formatString("%sWorking dir:  %s%s", prefix, workingDir.c_str(), suffix));
 405     }
 406     const char *const commandLine = programContext.commandLine();
 407     if (!gmx::isNullOrEmpty(commandLine))
 408     {
 409         writer->writeLine(formatString("%sCommand line:%s\n%s  %s%s",
 410                                        prefix, suffix, prefix, commandLine, suffix));
 411     }
 412     if (settings.bExtendedInfo_)
 413     {
 414         GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
 415                            "Prefix/suffix not supported with extended info");
 416         writer->ensureEmptyLine();
 417         gmx_print_version_info(writer);
 418     }
 419 }
 420
 421 } // namespace gmx