#
# This file is part of the GROMACS molecular simulation package.
#
-# Copyright (c) 2012,2013,2014,2015,2016,2017, by the GROMACS development team, led by
+# Copyright (c) 2012,2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
# and including many others, as listed in the AUTHORS file in the
# top-level source directory and at http://www.gromacs.org.
# configuration, or anonymous/unknown if it cannot be detected
# (Windows).
#
-# BUILD_TIME
-# BUILD_USER
-# BUILD_HOST
# BUILD_CPU_VENDOR
# BUILD_CPU_BRAND
# BUILD_CPU_FAMILY
include(gmxDetectCpu)
function(gmx_set_build_information)
- if(NOT BUILD_USER)
- if(CMAKE_HOST_UNIX)
- execute_process( COMMAND whoami OUTPUT_VARIABLE TMP_USER OUTPUT_STRIP_TRAILING_WHITESPACE)
- execute_process( COMMAND hostname OUTPUT_VARIABLE TMP_HOSTNAME OUTPUT_STRIP_TRAILING_WHITESPACE)
- else()
- set(TMP_USER "Anonymous")
- set(TMP_HOSTNAME "unknown")
- endif()
- set(BUILD_USER "${TMP_USER}\@${TMP_HOSTNAME} [CMAKE]" CACHE INTERNAL "Build user")
- message(STATUS "Setting build user - ${BUILD_USER}")
- endif()
-
- if(NOT BUILD_TIME)
- STRING(TIMESTAMP TMP_TIME "%Y-%m-%d %H:%M:%S" UTC)
- set(BUILD_TIME "${TMP_TIME}" CACHE INTERNAL "Build date & time")
- message(STATUS "Setting build time - ${BUILD_TIME}")
- endif()
-
- if(NOT BUILD_HOST)
- if(CMAKE_HOST_UNIX)
- execute_process( COMMAND uname -srm OUTPUT_VARIABLE TMP_HOST OUTPUT_STRIP_TRAILING_WHITESPACE)
- else()
- set(TMP_HOST "${CMAKE_HOST_SYSTEM} ${CMAKE_HOST_SYSTEM_PROCESSOR}")
- endif()
- set(BUILD_HOST "${TMP_HOST}" CACHE INTERNAL "Build host & architecture")
- message(STATUS "Setting build host - ${BUILD_HOST}")
- endif()
-
# Set up some defaults that will usually be overwritten
if(CMAKE_CROSSCOMPILING)
set(_reason ", cross-compiled")
#define CPT_MAGIC2 171819
#define CPTSTRLEN 1024
-/* cpt_version should normally only be changed
- * when the header or footer format changes.
+/*! \brief Enum of values that describe the contents of a cpt file
+ * whose format matches a version number
+ *
+ * The enum helps the code be more self-documenting and ensure merges
+ * do not silently resolve when two patches make the same bump. When
+ * adding new functionality, add a new element just above cptv_Count
+ * in this enumeration, and write code below that does the right thing
+ * according to the value of file_version.
+ */
+enum cptv {
+ cptv_Unknown = 17, /**< Version before numbering scheme */
+ cptv_RemoveBuildMachineInformation, /**< remove functionality that makes mdrun builds non-reproducible */
+ cptv_Count /**< the total number of cptv versions */
+};
+
+/*! \brief Version number of the file format written to checkpoint
+ * files by this version of the code.
+ *
+ * cpt_version should normally only be changed, via adding a new field
+ * to cptv enumeration, when the header or footer format changes.
+ *
* The state data format itself is backward and forward compatible.
* But old code can not read a new entry that is present in the file
* (but can read a new format when new entries are not present).
- */
-static const int cpt_version = 17;
+ *
+ * The cpt_version increases whenever the file format in the main
+ * development branch changes, due to an extension of the cptv enum above.
+ * Backward compatibility for reading old run input files is maintained
+ * by checking this version number against that of the file and then using
+ * the correct code path. */
+static const int cpt_version = cptv_Count - 1;
const char *est_names[estNR] =
// serialization, help separate comparison from reading, and have
// better defined transformation functions to/from trajectory frame
// data structures.
+//
+// Several fields were once written to checkpoint file headers, but
+// have been removed. So that old files can continue to be read,
+// the names of such fields contain the string "_UNUSED" so that it
+// is clear they should not be used.
struct CheckpointHeaderContents
{
int file_version;
char version[CPTSTRLEN];
- char btime[CPTSTRLEN];
- char buser[CPTSTRLEN];
- char bhost[CPTSTRLEN];
+ char btime_UNUSED[CPTSTRLEN];
+ char buser_UNUSED[CPTSTRLEN];
+ char bhost_UNUSED[CPTSTRLEN];
int double_prec;
char fprog[CPTSTRLEN];
char ftime[CPTSTRLEN];
gmx_gethostname(fhost, 255);
}
do_cpt_string_err(xd, "GROMACS version", contents->version, list);
- do_cpt_string_err(xd, "GROMACS build time", contents->btime, list);
- do_cpt_string_err(xd, "GROMACS build user", contents->buser, list);
- do_cpt_string_err(xd, "GROMACS build host", contents->bhost, list);
+ // The following fields are no longer ever written with meaningful
+ // content, but because they precede the file version, there is no
+ // good way for new code to read the old and new formats, nor a
+ // good way for old code to avoid giving an error while reading a
+ // new format. So we read and write a field that no longer has a
+ // purpose.
+ do_cpt_string_err(xd, "GROMACS build time UNUSED", contents->btime_UNUSED, list);
+ do_cpt_string_err(xd, "GROMACS build user UNUSED", contents->buser_UNUSED, list);
+ do_cpt_string_err(xd, "GROMACS build host UNUSED", contents->bhost_UNUSED, list);
do_cpt_string_err(xd, "generating program", contents->fprog, list);
do_cpt_string_err(xd, "generation time", contents->ftime, list);
contents->file_version = cpt_version;
nED, eSwapCoords
};
std::strcpy(headerContents.version, gmx_version());
- std::strcpy(headerContents.btime, BUILD_TIME);
- std::strcpy(headerContents.buser, BUILD_USER);
- std::strcpy(headerContents.bhost, BUILD_HOST);
std::strcpy(headerContents.fprog, gmx::getProgramContext().fullBinaryPath());
std::strcpy(headerContents.ftime, timebuf);
if (DOMAINDECOMP(cr))
if (reproducibilityRequested)
{
- check_string(fplog, "Build time", BUILD_TIME, headerContents.btime, &mm);
- check_string(fplog, "Build user", BUILD_USER, headerContents.buser, &mm);
- check_string(fplog, "Build host", BUILD_HOST, headerContents.bhost, &mm);
check_string(fplog, "Program name", gmx::getProgramContext().fullBinaryPath(), headerContents.fprog, &mm);
check_int (fplog, "#ranks", cr->nnodes, headerContents.nnodes, &mm);
fprintf(fplog, "Reading checkpoint file %s\n", fn);
fprintf(fplog, " file generated by: %s\n", headerContents->fprog);
fprintf(fplog, " file generated at: %s\n", headerContents->ftime);
- fprintf(fplog, " GROMACS build time: %s\n", headerContents->btime);
- fprintf(fplog, " GROMACS build user: %s\n", headerContents->buser);
- fprintf(fplog, " GROMACS build host: %s\n", headerContents->bhost);
fprintf(fplog, " GROMACS double prec.: %d\n", headerContents->double_prec);
fprintf(fplog, " simulation part #: %d\n", headerContents->simulation_part);
fprintf(fplog, " step: %s\n", gmx_step_str(headerContents->step, buf));
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff