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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 static const char* const Contributors[] = {
111 "Emile Apol", "Rossen Apostolov", "Paul Bauer", "Herman J.C. Berendsen",
112 "Par Bjelkmar", "Christian Blau", "Viacheslav Bolnykh", "Kevin Boyd",
113 "Aldert van Buuren", "Rudi van Drunen", "Anton Feenstra", "Alan Gray",
114 "Gerrit Groenhof", "Anca Hamuraru", "Vincent Hindriksen", "M. Eric Irrgang",
115 "Aleksei Iupinov", "Christoph Junghans", "Joe Jordan", "Dimitrios Karkoulis",
116 "Peter Kasson", "Jiri Kraus", "Carsten Kutzner", "Per Larsson",
117 "Justin A. Lemkul", "Viveca Lindahl", "Magnus Lundborg", "Erik Marklund",
118 "Pascal Merz", "Pieter Meulenhoff", "Teemu Murtola", "Szilard Pall",
119 "Sander Pronk", "Roland Schulz", "Michael Shirts", "Alexey Shvetsov",
120 "Alfons Sijbers", "Peter Tieleman", "Jon Vincent", "Teemu Virolainen",
121 "Christian Wennberg", "Maarten Wolf", "Artem Zhmurov"
123 static const char* const CopyrightText[] = {
124 "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
125 "Copyright (c) 2001-2019, The GROMACS development team at",
126 "Uppsala University, Stockholm University and", "the Royal Institute of Technology, Sweden.",
127 "check out http://www.gromacs.org for more information."
130 #define NCONTRIBUTORS static_cast<int>(asize(Contributors))
131 #define NCR static_cast<int>(asize(CopyrightText))
133 // TODO a centering behaviour of TextWriter could be useful here
134 writer->writeLine(formatCentered(78, "GROMACS is written by:"));
135 for (int i = 0; i < NCONTRIBUTORS;)
137 for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
139 const int width = 18;
140 std::array<char, 30> buf;
141 const int offset = centeringOffset(width, strlen(Contributors[i]));
142 GMX_RELEASE_ASSERT(static_cast<int>(strlen(Contributors[i])) + offset < gmx::ssize(buf),
143 "Formatting buffer is not long enough");
144 std::fill(buf.begin(), buf.begin() + offset, ' ');
145 std::strncpy(buf.data() + offset, Contributors[i], gmx::ssize(buf) - offset);
146 writer->writeString(formatString(" %-*s", width, buf.data()));
148 writer->ensureLineBreak();
150 writer->writeLine(formatCentered(78, "and the project leaders:"));
152 formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
153 writer->ensureEmptyLine();
154 for (int i = 0; i < NCR; ++i)
156 writer->writeLine(CopyrightText[i]);
158 writer->ensureEmptyLine();
160 // Folding At Home has different licence to allow digital
161 // signatures in GROMACS, so does not need to show the normal
162 // license statement.
165 writer->writeLine("GROMACS is free software; you can redistribute it and/or modify it");
166 writer->writeLine("under the terms of the GNU Lesser General Public License");
167 writer->writeLine("as published by the Free Software Foundation; either version 2.1");
168 writer->writeLine("of the License, or (at your option) any later version.");
172 // Construct a string that describes the library that provides FFT support to this build
173 const char* getFftDescriptionString()
175 // Define the FFT description string
176 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
177 # if GMX_NATIVE_WINDOWS
181 // Use the version string provided by libfftw3
185 return fftwf_version;
193 return "fftpack (built-in)";
197 void gmx_print_version_info(gmx::TextWriter* writer)
199 writer->writeLine(formatString("GROMACS version: %s", gmx_version()));
200 const char* const git_hash = gmx_version_git_full_hash();
201 if (git_hash[0] != '\0')
203 writer->writeLine(formatString("GIT SHA1 hash: %s", git_hash));
205 const char* const base_hash = gmx_version_git_central_base_hash();
206 if (base_hash[0] != '\0')
208 writer->writeLine(formatString("Branched from: %s", base_hash));
210 const char* const releaseSourceChecksum = gmxReleaseSourceChecksum();
211 const char* const currentSourceChecksum = gmxCurrentSourceChecksum();
212 if (releaseSourceChecksum[0] != '\0')
214 if (std::strcmp(releaseSourceChecksum, "NoChecksumFile") == 0)
216 writer->writeLine(formatString(
217 "The source code this program was compiled from has not been verified because "
218 "the reference checksum was missing during compilation. This means you have an "
219 "incomplete GROMACS distribution, please make sure to download an intact "
220 "source distribution and compile that before proceeding."));
221 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
223 else if (std::strcmp(releaseSourceChecksum, "NoPythonAvailable") == 0)
226 formatString("Build source could not be verified, because the checksum could "
227 "not be computed."));
229 else if (std::strcmp(releaseSourceChecksum, currentSourceChecksum) != 0)
231 writer->writeLine(formatString(
232 "This program has been built from source code that has been altered and does "
233 "not match the code released as part of the official GROMACS version %s. If "
234 "you did not intend to use an altered GROMACS version, make sure to download "
235 "an intact source distribution and compile that before proceeding.",
237 writer->writeLine(formatString(
238 "If you have modified the source code, you are strongly encouraged to set your "
239 "custom version suffix (using -DGMX_VERSION_STRING_OF_FORK) which will can "
240 "help later with scientific reproducibility but also when reporting bugs."));
241 writer->writeLine(formatString("Release checksum: %s", releaseSourceChecksum));
242 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
246 writer->writeLine(formatString("Verified release checksum is %s", releaseSourceChecksum));
252 writer->writeLine("Precision: double");
254 writer->writeLine("Precision: single");
256 writer->writeLine(formatString("Memory model: %u bit", static_cast<unsigned>(8 * sizeof(void*))));
259 writer->writeLine("MPI library: thread_mpi");
261 writer->writeLine("MPI library: MPI");
263 writer->writeLine("MPI library: none");
266 writer->writeLine(formatString("OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = %d)",
267 GMX_OPENMP_MAX_THREADS));
269 writer->writeLine("OpenMP support: disabled");
271 writer->writeLine(formatString("GPU support: %s", getGpuImplementationString()));
272 writer->writeLine(formatString("SIMD instructions: %s", GMX_SIMD_STRING));
273 writer->writeLine(formatString("FFT library: %s", getFftDescriptionString()));
274 writer->writeLine(formatString("RDTSCP usage: %s", HAVE_RDTSCP ? "enabled" : "disabled"));
276 writer->writeLine("TNG support: enabled");
278 writer->writeLine("TNG support: disabled");
281 writer->writeLine(formatString("Hwloc support: hwloc-%s", HWLOC_VERSION));
283 writer->writeLine("Hwloc support: disabled");
286 unsigned major, minor, revision;
287 Extrae_get_version(&major, &minor, &revision);
288 writer->writeLine(formatString("Tracing support: enabled. Using Extrae-%d.%d.%d", major,
291 writer->writeLine("Tracing support: disabled");
295 /* TODO: The below strings can be quite long, so it would be nice to wrap
296 * them. Can wait for later, as the master branch has ready code to do all
298 writer->writeLine(formatString("C compiler: %s", BUILD_C_COMPILER));
299 writer->writeLine(formatString("C compiler flags: %s", BUILD_CFLAGS));
300 writer->writeLine(formatString("C++ compiler: %s", BUILD_CXX_COMPILER));
301 writer->writeLine(formatString("C++ compiler flags: %s", BUILD_CXXFLAGS));
303 /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
304 writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.", __INTEL_MKL__,
305 __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
307 #if GMX_GPU == GMX_GPU_OPENCL
308 writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
309 writer->writeLine(formatString("OpenCL library: %s", OPENCL_LIBRARY));
310 writer->writeLine(formatString("OpenCL version: %s", OPENCL_VERSION_STRING));
312 #if GMX_GPU == GMX_GPU_CUDA
313 writer->writeLine(formatString("CUDA compiler: %s", CUDA_COMPILER_INFO));
314 writer->writeLine(formatString("CUDA compiler flags:%s", CUDA_COMPILER_FLAGS));
315 writer->writeLine("CUDA driver: " + gmx::getCudaDriverVersionString());
316 writer->writeLine("CUDA runtime: " + gmx::getCudaRuntimeVersionString());
327 BinaryInformationSettings::BinaryInformationSettings() :
328 bExtendedInfo_(false),
331 bGeneratedByHeader_(false),
337 void printBinaryInformation(FILE* fp, const IProgramContext& programContext)
339 TextWriter writer(fp);
340 printBinaryInformation(&writer, programContext, BinaryInformationSettings());
343 void printBinaryInformation(FILE* fp,
344 const IProgramContext& programContext,
345 const BinaryInformationSettings& settings)
349 TextWriter writer(fp);
350 printBinaryInformation(&writer, programContext, settings);
352 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
355 void printBinaryInformation(TextWriter* writer,
356 const IProgramContext& programContext,
357 const BinaryInformationSettings& settings)
359 // TODO Perhaps the writer could be configured with the prefix and
360 // suffix strings from the settings?
361 const char* prefix = settings.prefix_;
362 const char* suffix = settings.suffix_;
363 const char* precisionString = "";
365 precisionString = " (double precision)";
367 const char* const name = programContext.displayName();
368 if (settings.bGeneratedByHeader_)
370 writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
372 // TODO: It would be nice to know here whether we are really running a
373 // Gromacs binary or some other binary that is calling Gromacs; we
374 // could then print "%s is part of GROMACS" or some alternative text.
375 std::string title = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
377 centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
378 writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
379 writer->writeLine(formatString("%s%s", prefix, suffix));
380 if (settings.bCopyright_)
382 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
383 "Prefix/suffix not supported with copyright");
384 printCopyright(writer);
385 writer->ensureEmptyLine();
386 // This line is printed again after the copyright notice to make it
387 // appear together with all the other information, so that it is not
388 // necessary to read stuff above the copyright notice.
389 // The line above the copyright notice puts the copyright notice is
391 writer->writeLine(formatString("%sGROMACS: %s, version %s%s%s", prefix, name,
392 gmx_version(), precisionString, suffix));
394 const char* const binaryPath = programContext.fullBinaryPath();
395 if (!gmx::isNullOrEmpty(binaryPath))
397 writer->writeLine(formatString("%sExecutable: %s%s", prefix, binaryPath, suffix));
399 const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
400 if (!gmx::isNullOrEmpty(installPrefix.path))
402 writer->writeLine(formatString("%sData prefix: %s%s%s", prefix, installPrefix.path,
403 installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
405 const std::string workingDir = Path::getWorkingDirectory();
406 if (!workingDir.empty())
408 writer->writeLine(formatString("%sWorking dir: %s%s", prefix, workingDir.c_str(), suffix));
410 if (settings.bProcessId_)
412 writer->writeLine(formatString("%sProcess ID: %d%s", prefix, gmx_getpid(), suffix));
414 const char* const commandLine = programContext.commandLine();
415 if (!gmx::isNullOrEmpty(commandLine))
417 writer->writeLine(formatString("%sCommand line:%s\n%s %s%s", prefix, suffix, prefix,
418 commandLine, suffix));
420 if (settings.bExtendedInfo_)
422 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
423 "Prefix/suffix not supported with extended info");
424 writer->ensureEmptyLine();
425 gmx_print_version_info(writer);