2 * This file is part of the GROMACS molecular simulation package.
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.
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.
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.
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.
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.
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.
38 * \brief Implements functionality for printing information about the
39 * currently running binary
41 * \ingroup module_utility
45 #include "binaryinformation.h"
50 // Needed for construction of the FFT library description string
59 #include <extrae_user_events.h>
73 /* This file is completely threadsafe - keep it that way! */
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"
85 #include "cuda_version_information.h"
90 using gmx::formatString;
92 //! \cond Doxygen does not need to care about most of this stuff, and the macro usage is painful to document
94 int centeringOffset(int width, int length)
96 return std::max(width - length, 0) / 2;
99 std::string formatCentered(int width, const char *text)
101 const int offset = centeringOffset(width, std::strlen(text));
102 return formatString("%*s%s", offset, "", text);
105 void printCopyright(gmx::TextWriter *writer)
107 static const char * const Contributors[] = {
110 "Herman J.C. Berendsen",
116 "Christoph Junghans",
118 "Vincent Hindriksen",
119 "Dimitrios Karkoulis",
137 "Christian Wennberg",
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."
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."
154 #define NCONTRIBUTORS (int)asize(Contributors)
155 #define NCR (int)asize(CopyrightText)
157 // FAH has an exception permission from LGPL to allow digital signatures in Gromacs.
161 #define NLICENSE (int)asize(LicenseText)
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; )
168 for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
170 const int width = 18;
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));
179 writer->ensureLineBreak();
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)
186 writer->writeLine(CopyrightText[i]);
188 writer->ensureEmptyLine();
189 for (int i = 0; i < NLICENSE; ++i)
191 writer->writeLine(LicenseText[i]);
195 // Construct a string that describes the library that provides FFT support to this build
196 const char *getFftDescriptionString()
198 // Define the FFT description string
200 # if GMX_NATIVE_WINDOWS
204 // Use the version string provided by libfftw3
208 return fftwf_version;
216 return "fftpack (built-in)";
220 void gmx_print_version_info(gmx::TextWriter *writer)
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')
226 writer->writeLine(formatString("GIT SHA1 hash: %s", git_hash));
228 const char *const base_hash = gmx_version_git_central_base_hash();
229 if (base_hash[0] != '\0')
231 writer->writeLine(formatString("Branched from: %s", base_hash));
235 writer->writeLine("Precision: double");
237 writer->writeLine("Precision: single");
239 writer->writeLine(formatString("Memory model: %u bit", (unsigned)(8*sizeof(void *))));
242 writer->writeLine("MPI library: thread_mpi");
244 writer->writeLine("MPI library: MPI");
246 writer->writeLine("MPI library: none");
249 writer->writeLine(formatString("OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = %d)", GMX_OPENMP_MAX_THREADS));
251 writer->writeLine("OpenMP support: disabled");
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()));
257 writer->writeLine("RDTSCP usage: enabled");
259 writer->writeLine("RDTSCP usage: disabled");
262 writer->writeLine("TNG support: enabled");
264 writer->writeLine("TNG support: disabled");
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));
272 writer->writeLine("Hwloc support: disabled");
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));
279 writer->writeLine("Tracing support: disabled");
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
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));
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__));
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));
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));
325 BinaryInformationSettings::BinaryInformationSettings()
326 : bExtendedInfo_(false), bCopyright_(false),
327 bGeneratedByHeader_(false), prefix_(""), suffix_("")
331 void printBinaryInformation(FILE *fp,
332 const IProgramContext &programContext)
334 TextWriter writer(fp);
335 printBinaryInformation(&writer, programContext, BinaryInformationSettings());
338 void printBinaryInformation(FILE *fp,
339 const IProgramContext &programContext,
340 const BinaryInformationSettings &settings)
344 TextWriter writer(fp);
345 printBinaryInformation(&writer, programContext, settings);
347 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
350 void printBinaryInformation(TextWriter *writer,
351 const IProgramContext &programContext,
352 const BinaryInformationSettings &settings)
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 = "";
360 precisionString = " (double precision)";
362 const char *const name = programContext.displayName();
363 if (settings.bGeneratedByHeader_)
365 writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
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.
371 = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
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_)
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
387 writer->writeLine(formatString("%sGROMACS: %s, version %s%s%s", prefix, name,
388 gmx_version(), precisionString, suffix));
390 const char *const binaryPath = programContext.fullBinaryPath();
391 if (!gmx::isNullOrEmpty(binaryPath))
393 writer->writeLine(formatString("%sExecutable: %s%s", prefix, binaryPath, suffix));
395 const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
396 if (!gmx::isNullOrEmpty(installPrefix.path))
398 writer->writeLine(formatString("%sData prefix: %s%s%s", prefix, installPrefix.path,
399 installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
401 const std::string workingDir = Path::getWorkingDirectory();
402 if (!workingDir.empty())
404 writer->writeLine(formatString("%sWorking dir: %s%s", prefix, workingDir.c_str(), suffix));
406 const char *const commandLine = programContext.commandLine();
407 if (!gmx::isNullOrEmpty(commandLine))
409 writer->writeLine(formatString("%sCommand line:%s\n%s %s%s",
410 prefix, suffix, prefix, commandLine, suffix));
412 if (settings.bExtendedInfo_)
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);