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39 * \brief Implements functionality for printing information about the
40 * currently running binary
42 * \ingroup module_utility
46 #include "binaryinformation.h"
50 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
51 // Needed for construction of the FFT library description string
60 # include <extrae_user_events.h>
75 /* This file is completely threadsafe - keep it that way! */
77 #include "buildinfo.h"
78 #include "gromacs/utility/arraysize.h"
79 #include "gromacs/utility/baseversion.h"
80 #include "gromacs/utility/exceptions.h"
81 #include "gromacs/utility/gmxassert.h"
82 #include "gromacs/utility/path.h"
83 #include "gromacs/utility/programcontext.h"
84 #include "gromacs/utility/stringutil.h"
85 #include "gromacs/utility/sysinfo.h"
86 #include "gromacs/utility/textwriter.h"
88 #include "cuda_version_information.h"
93 using gmx::formatString;
95 //! \cond Doxygen does not need to care about most of this stuff, and the macro usage is painful to document
97 int centeringOffset(int width, int length)
99 return std::max(width - length, 0) / 2;
102 std::string formatCentered(int width, const char* text)
104 const int offset = centeringOffset(width, std::strlen(text));
105 return formatString("%*s%s", offset, "", text);
108 void printCopyright(gmx::TextWriter* writer)
110 // Contributors sorted alphabetically by last name
111 static const char* const Contributors[] = { "Andrey Alekseenko",
115 "Herman J.C. Berendsen",
118 "Viacheslav Bolnykh",
124 "Gilles Gouaillardet",
128 "Vincent Hindriksen",
131 "Christoph Junghans",
133 "Dimitrios Karkoulis",
154 "Christian Wennberg",
157 static const char* const CopyrightText[] = {
158 "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
159 "Copyright (c) 2001-2019, The GROMACS development team at",
160 "Uppsala University, Stockholm University and",
161 "the Royal Institute of Technology, Sweden.",
162 "check out http://www.gromacs.org for more information."
165 #define NCONTRIBUTORS static_cast<int>(asize(Contributors))
166 #define NCR static_cast<int>(asize(CopyrightText))
168 // TODO a centering behaviour of TextWriter could be useful here
169 writer->writeLine(formatCentered(78, "GROMACS is written by:"));
170 for (int i = 0; i < NCONTRIBUTORS;)
172 for (int j = 0; j < 3 && i < NCONTRIBUTORS; ++j, ++i)
174 const int width = 26;
175 std::array<char, 30> buf;
176 const int offset = centeringOffset(width, strlen(Contributors[i]));
177 GMX_RELEASE_ASSERT(static_cast<int>(strlen(Contributors[i])) + offset < gmx::ssize(buf),
178 "Formatting buffer is not long enough");
179 std::fill(buf.begin(), buf.begin() + offset, ' ');
180 std::strncpy(buf.data() + offset, Contributors[i], gmx::ssize(buf) - offset);
181 writer->writeString(formatString(" %-*s", width, buf.data()));
183 writer->ensureLineBreak();
185 writer->writeLine(formatCentered(78, "and the project leaders:"));
187 formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
188 writer->ensureEmptyLine();
189 for (int i = 0; i < NCR; ++i)
191 writer->writeLine(CopyrightText[i]);
193 writer->ensureEmptyLine();
195 // Folding At Home has different licence to allow digital
196 // signatures in GROMACS, so does not need to show the normal
197 // license statement.
200 writer->writeLine("GROMACS is free software; you can redistribute it and/or modify it");
201 writer->writeLine("under the terms of the GNU Lesser General Public License");
202 writer->writeLine("as published by the Free Software Foundation; either version 2.1");
203 writer->writeLine("of the License, or (at your option) any later version.");
207 // Construct a string that describes the library that provides FFT support to this build
208 const char* getFftDescriptionString()
210 // Define the FFT description string
211 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
212 # if GMX_NATIVE_WINDOWS
216 // Use the version string provided by libfftw3
220 return fftwf_version;
228 return "fftpack (built-in)";
232 void gmx_print_version_info(gmx::TextWriter* writer)
234 writer->writeLine(formatString("GROMACS version: %s", gmx_version()));
235 const char* const git_hash = gmx_version_git_full_hash();
236 if (git_hash[0] != '\0')
238 writer->writeLine(formatString("GIT SHA1 hash: %s", git_hash));
240 const char* const base_hash = gmx_version_git_central_base_hash();
241 if (base_hash[0] != '\0')
243 writer->writeLine(formatString("Branched from: %s", base_hash));
245 const char* const releaseSourceChecksum = gmxReleaseSourceChecksum();
246 const char* const currentSourceChecksum = gmxCurrentSourceChecksum();
247 if (releaseSourceChecksum[0] != '\0')
249 if (std::strcmp(releaseSourceChecksum, "NoChecksumFile") == 0)
251 writer->writeLine(formatString(
252 "The source code this program was compiled from has not been verified because "
253 "the reference checksum was missing during compilation. This means you have an "
254 "incomplete GROMACS distribution, please make sure to download an intact "
255 "source distribution and compile that before proceeding."));
256 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
258 else if (std::strcmp(releaseSourceChecksum, "NoPythonAvailable") == 0)
261 formatString("Build source could not be verified, because the checksum could "
262 "not be computed."));
264 else if (std::strcmp(releaseSourceChecksum, currentSourceChecksum) != 0)
266 writer->writeLine(formatString(
267 "This program has been built from source code that has been altered and does "
268 "not match the code released as part of the official GROMACS version %s. If "
269 "you did not intend to use an altered GROMACS version, make sure to download "
270 "an intact source distribution and compile that before proceeding.",
272 writer->writeLine(formatString(
273 "If you have modified the source code, you are strongly encouraged to set your "
274 "custom version suffix (using -DGMX_VERSION_STRING_OF_FORK) which will can "
275 "help later with scientific reproducibility but also when reporting bugs."));
276 writer->writeLine(formatString("Release checksum: %s", releaseSourceChecksum));
277 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
281 writer->writeLine(formatString("Verified release checksum is %s", releaseSourceChecksum));
287 writer->writeLine("Precision: double");
289 writer->writeLine("Precision: mixed");
291 writer->writeLine(formatString("Memory model: %u bit", static_cast<unsigned>(8 * sizeof(void*))));
294 writer->writeLine("MPI library: thread_mpi");
296 # if HAVE_CUDA_AWARE_MPI
297 writer->writeLine("MPI library: MPI (CUDA-aware)");
299 writer->writeLine("MPI library: MPI");
302 writer->writeLine("MPI library: none");
305 writer->writeLine(formatString("OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = %d)",
306 GMX_OPENMP_MAX_THREADS));
308 writer->writeLine("OpenMP support: disabled");
310 writer->writeLine(formatString("GPU support: %s", getGpuImplementationString()));
311 writer->writeLine(formatString("SIMD instructions: %s", GMX_SIMD_STRING));
312 writer->writeLine(formatString("FFT library: %s", getFftDescriptionString()));
314 writer->writeLine(formatString("RDTSCP usage: %s", GMX_USE_RDTSCP ? "enabled" : "disabled"));
317 writer->writeLine("TNG support: enabled");
319 writer->writeLine("TNG support: disabled");
322 writer->writeLine(formatString("Hwloc support: hwloc-%s", HWLOC_VERSION));
324 writer->writeLine("Hwloc support: disabled");
327 unsigned major, minor, revision;
328 Extrae_get_version(&major, &minor, &revision);
329 writer->writeLine(formatString(
330 "Tracing support: enabled. Using Extrae-%d.%d.%d", major, minor, revision));
332 writer->writeLine("Tracing support: disabled");
336 /* TODO: The below strings can be quite long, so it would be nice to wrap
337 * them. Can wait for later, as the master branch has ready code to do all
339 writer->writeLine(formatString("C compiler: %s", BUILD_C_COMPILER));
340 writer->writeLine(formatString(
341 "C compiler flags: %s %s", BUILD_CFLAGS, CMAKE_BUILD_CONFIGURATION_C_FLAGS));
342 writer->writeLine(formatString("C++ compiler: %s", BUILD_CXX_COMPILER));
343 writer->writeLine(formatString(
344 "C++ compiler flags: %s %s", BUILD_CXXFLAGS, CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
346 /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
347 writer->writeLine(formatString(
348 "Linked with Intel MKL version %d.%d.%d.", __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
351 writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
352 writer->writeLine(formatString("OpenCL library: %s", OPENCL_LIBRARY));
353 writer->writeLine(formatString("OpenCL version: %s", OPENCL_VERSION_STRING));
356 writer->writeLine(formatString("CUDA compiler: %s", CUDA_COMPILER_INFO));
357 writer->writeLine(formatString(
358 "CUDA compiler flags:%s %s", CUDA_COMPILER_FLAGS, CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
359 writer->writeLine("CUDA driver: " + gmx::getCudaDriverVersionString());
360 writer->writeLine("CUDA runtime: " + gmx::getCudaRuntimeVersionString());
371 BinaryInformationSettings::BinaryInformationSettings() :
372 bExtendedInfo_(false),
375 bGeneratedByHeader_(false),
381 void printBinaryInformation(FILE* fp, const IProgramContext& programContext)
383 TextWriter writer(fp);
384 printBinaryInformation(&writer, programContext, BinaryInformationSettings());
387 void printBinaryInformation(FILE* fp,
388 const IProgramContext& programContext,
389 const BinaryInformationSettings& settings)
393 TextWriter writer(fp);
394 printBinaryInformation(&writer, programContext, settings);
396 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
399 void printBinaryInformation(TextWriter* writer,
400 const IProgramContext& programContext,
401 const BinaryInformationSettings& settings)
403 // TODO Perhaps the writer could be configured with the prefix and
404 // suffix strings from the settings?
405 const char* prefix = settings.prefix_;
406 const char* suffix = settings.suffix_;
407 const char* precisionString = "";
409 precisionString = " (double precision)";
411 const char* const name = programContext.displayName();
412 if (settings.bGeneratedByHeader_)
414 writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
416 // TODO: It would be nice to know here whether we are really running a
417 // Gromacs binary or some other binary that is calling Gromacs; we
418 // could then print "%s is part of GROMACS" or some alternative text.
419 std::string title = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
421 centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
422 writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
423 writer->writeLine(formatString("%s%s", prefix, suffix));
424 if (settings.bCopyright_)
426 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
427 "Prefix/suffix not supported with copyright");
428 printCopyright(writer);
429 writer->ensureEmptyLine();
430 // This line is printed again after the copyright notice to make it
431 // appear together with all the other information, so that it is not
432 // necessary to read stuff above the copyright notice.
433 // The line above the copyright notice puts the copyright notice is
435 writer->writeLine(formatString(
436 "%sGROMACS: %s, version %s%s%s", prefix, name, gmx_version(), precisionString, suffix));
438 const char* const binaryPath = programContext.fullBinaryPath();
439 if (!gmx::isNullOrEmpty(binaryPath))
441 writer->writeLine(formatString("%sExecutable: %s%s", prefix, binaryPath, suffix));
443 const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
444 if (!gmx::isNullOrEmpty(installPrefix.path))
446 writer->writeLine(formatString("%sData prefix: %s%s%s",
449 installPrefix.bSourceLayout ? " (source tree)" : "",
452 const std::string workingDir = Path::getWorkingDirectory();
453 if (!workingDir.empty())
455 writer->writeLine(formatString("%sWorking dir: %s%s", prefix, workingDir.c_str(), suffix));
457 if (settings.bProcessId_)
459 writer->writeLine(formatString("%sProcess ID: %d%s", prefix, gmx_getpid(), suffix));
461 const char* const commandLine = programContext.commandLine();
462 if (!gmx::isNullOrEmpty(commandLine))
464 writer->writeLine(formatString(
465 "%sCommand line:%s\n%s %s%s", prefix, suffix, prefix, commandLine, suffix));
467 if (settings.bExtendedInfo_)
469 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
470 "Prefix/suffix not supported with extended info");
471 writer->ensureEmptyLine();
472 gmx_print_version_info(writer);