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add support for building/using the ADIOS package without MPI

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This needs the ADIOS2 installation being configured accordingly.
This commit is contained in:
Axel Kohlmeyer
2022-11-07 07:24:17 -05:00
parent 9cbc77f41c
commit 09e490db40
4 changed files with 41 additions and 0 deletions
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9
cmake/CMakeLists.txt
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@ -316,6 +316,15 @@ if(PKG_ADIOS)
# script that defines the MPI::MPI_C target
enable_language(C)
find_package(ADIOS2 REQUIRED)
if(BUILD_MPI)
if(NOT ADIOS2_HAVE_MPI)
message(FATAL_ERROR "ADIOS2 must be built with MPI support when LAMMPS has MPI enabled")
endif()
else()
if(ADIOS2_HAVE_MPI)
message(FATAL_ERROR "ADIOS2 must be built without MPI support when LAMMPS has MPI disabled")
endif()
endif()
target_link_libraries(lammps PRIVATE adios2::adios2)
endif()

12
src/ADIOS/dump_atom_adios.cpp
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@ -62,7 +62,11 @@ DumpAtomADIOS::DumpAtomADIOS(LAMMPS *lmp, int narg, char **arg) : DumpAtom(lmp,
internal = new DumpAtomADIOSInternal();
try {
#if defined(MPI_STUBS)
internal->ad = new adios2::ADIOS("adios2_config.xml", adios2::DebugON);
#else
internal->ad = new adios2::ADIOS("adios2_config.xml", world, adios2::DebugON);
#endif
} catch (std::ios_base::failure &e) {
error->all(FLERR, "ADIOS initialization failed with error: {}", e.what());
}
@ -84,11 +88,19 @@ void DumpAtomADIOS::openfile()
if (multifile) {
// if one file per timestep, replace '*' with current timestep
auto filecurrent = utils::star_subst(filename, update->ntimestep, padflag);
#if defined(MPI_STUBS)
internal->fh = internal->io.Open(filecurrent, adios2::Mode::Write);
#else
internal->fh = internal->io.Open(filecurrent, adios2::Mode::Write, world);
#endif
if (!internal->fh) error->one(FLERR, "Cannot open dump file {}", filecurrent);
} else {
if (!singlefile_opened) {
#if defined(MPI_STUBS)
internal->fh = internal->io.Open(filename, adios2::Mode::Write);
#else
internal->fh = internal->io.Open(filename, adios2::Mode::Write, world);
#endif
if (!internal->fh) error->one(FLERR, "Cannot open dump file {}", filename);
singlefile_opened = 1;
}

12
src/ADIOS/dump_custom_adios.cpp
View File

@ -70,7 +70,11 @@ DumpCustomADIOS::DumpCustomADIOS(LAMMPS *lmp, int narg, char **arg) : DumpCustom
internal = new DumpCustomADIOSInternal();
try {
#if defined(MPI_STUBS)
internal->ad = new adios2::ADIOS("adios2_config.xml", adios2::DebugON);
#else
internal->ad = new adios2::ADIOS("adios2_config.xml", world, adios2::DebugON);
#endif
} catch (std::ios_base::failure &e) {
error->all(FLERR, "ADIOS initialization failed with error: {}", e.what());
}
@ -96,11 +100,19 @@ void DumpCustomADIOS::openfile()
if (multifile) {
// if one file per timestep, replace '*' with current timestep
auto filecurrent = utils::star_subst(filename, update->ntimestep, padflag);
#if defined(MPI_STUBS)
internal->fh = internal->io.Open(filecurrent, adios2::Mode::Write);
#else
internal->fh = internal->io.Open(filecurrent, adios2::Mode::Write, world);
#endif
if (!internal->fh) error->one(FLERR, "Cannot open dump file {}", filecurrent);
} else {
if (!singlefile_opened) {
#if defined(MPI_STUBS)
internal->fh = internal->io.Open(filename, adios2::Mode::Write);
#else
internal->fh = internal->io.Open(filename, adios2::Mode::Write, world);
#endif
if (!internal->fh) error->one(FLERR, "Cannot open dump file {}", filename);
singlefile_opened = 1;
}

8
src/ADIOS/reader_adios.cpp
View File

@ -82,7 +82,11 @@ ReaderADIOS::ReaderADIOS(LAMMPS *lmp) : Reader(lmp)
internal = new ReadADIOSInternal();
try {
#if defined(MPI_STUBS)
internal->ad = new adios2::ADIOS("adios2_config.xml", adios2::DebugON);
#else
internal->ad = new adios2::ADIOS("adios2_config.xml", world, adios2::DebugON);
#endif
} catch (std::ios_base::failure &e) {
error->one(FLERR, "ADIOS initialization failed with error: {}", e.what());
}
@ -134,7 +138,11 @@ void ReaderADIOS::open_file(const std::string &file)
if (internal->fh) internal->fh.Close();
try {
#if defined(MPI_STUBS)
internal->fh = internal->io.Open(file, adios2::Mode::Read);
#else
internal->fh = internal->io.Open(file, adios2::Mode::Read, world);
#endif
} catch (std::ios_base::failure &e) {
error->one(FLERR, "Error opening file {}: {}", file, e.what());
}