Please refer to the INSTALL file for generic build instructions. That is a good place to start if you are new to using “configure; make; make install” types of builds. The following will cover platform-specific considerations as well as the various optional features of GA. Customizations to the GA build via the configure script are discussed next.
There are many options available when configuring GA. Although configure can be safely run within this distributions’ root folder, we recommend performing an out-of-source (aka VPATH) build. This will cleanly separate the generated Makefiles and compiled object files and libraries from the source code. This will allow, for example, one build using MPI two-sided versus another build using OpenIB for the communication layer to use the same source tree e.g.:
mkdir bld_mpi_ts && cd bld_mpi_ts && ../configure mkdir bld_mpi_openib && cd bld_mpi_openib && ../configure --with-openib
Regardless of your choice to perform a VPATH build, the following should
hopefully elucidate the myriad options to configure. Only the options
requiring additional details are documented here. ./configure --help
will certainly list more options in addition to limited documentation.
This software contains a number of communication runtime implementations which directly use MPI instead of a native communication library, e.g., OpenIB verbs, Cray DMAPP. The basis of all of our MPI-based ports is the use of the MPI two-sided primitives (MPI_Send, MPI_Recv) to implement our ComEx/ARMCI one-sided protocols. The primary benefit of these ports is that Global Arrays and its user applications will now run on any platform where MPI is supported.
The recommended port is MPI-1 with progress ranks --with-mpi-pr.
However, there are some caveats which must be mentioned in order to use
the new MPI ports.
How to Use Progress Ranks
Your application code must not rely on MPI_COMM_WORLD directly. Instead, you must duplicate the MPI communicator that the GA library returns to you in place of any world communicator. Example code follows:
Fortran77:
program main
implicit none
#include “mpi.fh"
#include "global.fh"
#include "ga-mpi.fh"
integer comm
integer ierr
call mpi_init(ierr)
call ga_initialize()
call ga_mpi_comm(comm)
! use the returned comm as ususal
call ga_terminate()
call mpi_finalize(ierr)
end
C/C++:
#include <mpi.h>
#include "ga.h"
#include "ga-mpi.h"
int main(int argc, char **argv) {
MPI_Comm comm;
MPI_Init(&argc,&argv);
GA_Initialize();
comm = GA_MPI_Comm();
GA_Terminate();
MPI_Finalize();
return 0;
}How to Use Progress Threads
This port uses MPI_Init_thread() internally with a threading level of
MPI_THREAD_MULTIPLE. It will create one progress thread per compute
node. It is advised to undersubscribe your compute nodes by one core.
Your application code can remain unchanged unless you call MPI_Init() in
your application code, in which case GA will detect the lower MPI
threading level and abort with an error.
How to Use the New Default Two Sided Port
The MPI two-sided port is fully compatible with the MPI-1 standard.
However, your application code will require additional GA_Sync() calls
prior to and after any MPI function calls. This effectively splits user
application code into blocks/epochs/phases of MPI code and GA code. Not
doing so will likely cause your application to hang since our two sided
port can only make communication progress inside of a GA function call.
Any application code which only makes GA function calls can remain unchanged.
--with-armci[=ARG] select armci network as external; path to external
ARMCI library
--with-cray-shmem[=ARG] select armci network as Cray XT shmem
--with-dmapp[=ARG] select armci network as (Comex) Cray DMAPP
--with-gemini[=ARG] select armci network as Cray XE Gemini using
libonesided
--with-lapi[=ARG] select armci network as IBM LAPI
--with-mpi-mt[=ARG] select armci network as (Comex) MPI-2
multi-threading
--with-mpi-pt[=ARG] select armci network as (Comex) MPI-2
multi-threading with progress thread
--with-mpi-pr[=ARG] select armci network as (Comex) MPI-1 two-sided with
progress rank
--with-mpi-spawn[=ARG] select armci network as MPI-2 dynamic process mgmt
--with-mpi-ts[=ARG] select armci network as (Comex) MPI-1 two-sided
--with-mpi3[=ARG] select armci network as (Comex) MPI-3 one-sided
--with-ofa[=ARG] select armci network as (Comex) Infiniband OpenIB
--with-ofi[=ARG] select armci network as (Comex) OFI
--with-openib[=ARG] select armci network as Infiniband OpenIB
--with-portals4[=ARG] select armci network as (Comex) Portals4
--with-portals[=ARG] select armci network as Cray XT portals
--with-sockets[=ARG] select armci network as Ethernet TCP/IP
--disable-f77 Disable Fortran code. This used to be the old
GA_C_CORE or NOFORT environment variables which
enabled the C++ bindings. However, it is severely
broken. There are certain cases where Fortran code is
required but this will not inhibit the building of the
C++ bindings. In the future we may be able to
eliminate the need for the Fortran compiler/linker.
Use at your own risk (of missing symbols at link-time.)
--enable-cxx Build C++ interface. This will require the C++ linker
to locate the Fortran libraries (handled
automatically) but user C++ code will require the same
considerations (C++ linker, Fortran libraries.)
--disable-opt Don't use hard-coded optimization flags. GA is a
highly-optimized piece of software. There are certain
optimization levels or flags that are known to break
the software. If you experience mysterious faults,
consider rebuilding without optimization by using this
option.
--enable-sysv Enable System V Shared Memory.
--enable-peigs Enable Parallel Eigensystem Solver interface. This
will build the stubs required to call into the peigs
library (external).
--enable-checkpoint Enable checkpointing. Untested. For use with old
X-based visualization tool.
--enable-profile Enable profiling. Not sure what this does, sorry.
--enable-trace Enable tracing. Not sure what this does, sorry.
--enable-underscoring Force single underscore for all external Fortran
symbols. Usually, configure is able to detect the name
mangling scheme of the detected Fortran compiler and
will default to using what is detected. This includes
any variation of zero, one, or two underscores or
whether UPPERCASE or lowercase symbols are used. If
you want to force a single underscore which was the
default of older GA builds, use this option.
Otherwise, you can use the FFLAGS environment variable
to override the Fortran compiler's or platform's
defaults e.g. configure FFLAGS=-fno-underscoring.
--enable-i4 Use 4 bytes for Fortran INTEGER size. Otherwise, the
default INTEGER size is set to the results of the C
sizeof(void*) operator.
--enable-i8 Use 8 bytes for Fortran INTEGER size. Otherwise, the
default INTEGER size is set to the results of the C
sizeof(void*) operator.
--enable-shared Build shared libraries [default=no]. Useful, for
example, if you plan on wrapping GA with an
interpreted language such as Python. Otherwise, some
systems only support static libraries (or vice versa)
but static libraries are the default.
For most of the external software packages an optional argument is allowed (represented as ARG below.) ARG can be omitted or can be one or more whitespace-separated directories, linker or preprocessor directives. For example:
--with-mpi="/path/to/mpi -lmylib -I/mydir" --with-mpi=/path/to/mpi/base --with-mpi=-lmpich
The messaging libraries supported include MPI, TCGMSG, and TCGMSG over
MPI. If you omit their respective --with- option, MPI is the
default. GA can be built to work with MPI or TCGMSG. Since the TCGMSG
package is small (comparing to portable MPI implementations) and
compiles fast, it is still bundled with the GA package.
--with-mpi=ARG Select MPI as the messaging library (default). If you
omit ARG, we attempt to locate the MPI compiler
wrappers. If you supply anything for ARG, we will
parse ARG as indicated above.
--with-tcgmsg Select TCGMSG as the messaging library; if
--with-mpi is also specified then TCGMSG over MPI is
used.
--with-blas=ARG Use external BLAS library; attempt to detect
sizeof(INTEGER) used to compile BLAS; if not found, an
internal BLAS is built
--with-blas4=ARG Use external BLAS library compiled with
sizeof(INTEGER)==4
--with-blas8=ARG Use external BLAS library compiled with
sizeof(INTEGER)==8
--with-lapack=ARG Use external LAPACK library. If not found, an internal
one is built.
--with-scalapack=ARG Use external ScaLAPACK library.
There are some influential environment variables as documented in
configure --help, however there are a few that are special to GA.
- F77_INT_FLAG Fortran compiler flag to set the default INTEGER size. We know about certain Fortran flags that set the default INTEGER size, but there will certainly be some new (or old) ones that we don't know about. If the configure test to determine the correct flag fails, please try setting this variable and rerunning configure. - F2C_HIDDEN_STRING_LENGTH_AFTER_ARGS If cross compiling, set to either "yes" (default) or "no" (after string). For compatibility between Fortran and C, a Fortran subroutine written in C that takes a character string must take an additional argument (one per character string) indicating the length of the string. This 'hidden' argument appears either immediately after the string in the argument list or after all other arguments to the function. This is compiler dependent. We attempt to detect this behavior automatically, but in the case of cross-compiled systems it may be necessary to specify the less usual after string convention the gaf2c/testarg program crashes.
BLAS, being a Fortran library, can be compiled with a default INTEGER size of 4 or a promoted INTEGER size of 8. Experience has shown us that most of the time the default size of INTEGER used is 4. In some cases, however, you may have an external BLAS library which is using 8-byte INTEGERs. In order to correctly interface with an external BLAS library, GA must know the size of INTEGER used by the BLAS library.
configure has the following BLAS-related options: --with-blas,
--with-blas4, and --with-blas8. The latter two will force the
INTEGER size to 4- or 8-bytes, respectively. The first option,
--with-blas, defaults to 4-byte INTEGERS however in the two
special cases of using ACML or MKL, it is possible to detect 8-byte
INTEGERs automatically. As documented in the ACML manual, if the path to
the library has _int64 then 8-byte INTEGERs are used. As documented
in the MKL manual, if the library is ilp64, then 8-byte INTEGERs are
used.
You may always override --with-blas by specifying the INTEGER size
using one of the two more specific options.
Certain platforms cross-compile from a login node for a compute node, or
one might choose to cross-compile for other reasons. Cross-compiling
requires the use of the --host option to configure which indicates
to configure that certain run-time tests should not be executed. See
INSTALL for details on use of the --host option.
Two of our target platforms are known to require cross-compilation, Cray XT and IBM Blue Gene.
It has been noted that configure still succeeds without the use of the -host flag. If you experience problems without -host, we recommend
configure --host=x86_64-unknown-linux-gnu
And if that doesn’t work (cross-compilation is not detected) you must
then force cross-compilation using both --host and --build
together:
configure --host=x86_64-unknown-linux-gnu --build=x86_64-unknown-linux-gnu
Alternatively, you can just tell configure directly.
configure cross_compiling=yes
Unless otherwise noted you can try to overwrite the default compiler names detected by configure by defining F77, CC, and CXX for Fortran (77), C, and C++ compilers, respectively. Or when using the MPI compilers MPIF77, MPICC, and MPICXX for MPI Fortran (77), C, and C++ compilers, respectively:
configure F77=f90 CC=gcc configure MPIF77=mpif90 MPICC=mpicc
Although you can change the compiler at make-time it will likely fail. Many platform-specific compiler flags are detected at configure-time based on the compiler selection. If changing compilers, we recommend rerunning configure as above.
By this point we assume you have successfully run configure either from the base distribution directory or from a separate build directory (aka VPATH build.) You are now ready to run ‘make’. You can optionally run parallel make using the “-j” option which significantly speeds up the build. If using the MPI compiler wrappers, occasionally using “-j” will cause build failures because the MPI compiler wrapper creates a temporary symlink to the mpif.h header. In that case, you won’t be able to use the “-j” option. Further, the influential environment variables used at configure-time can be overridden at make-time in case problems are encountered. For example:
./configure CFLAGS=-Wimplicit ... make CFLAGS="-Wimplicit -g -O0"
One particularly influential make variable is “V” which controls the
verbosity of the make output. This variable corresponds to the
--disable-silent-rules/--enable-silent-riles configure-time option,
but we recommend the make-time variable:
make V=0 (configure --enable-silent-rules) make V=1 (configure --disable-silent-rules)
Running “make checkprogs” will build most test and example programs. Note that not all tests are built - some tests depend on certain features being detected or enabled during configure. These programs are not intented to be examples of good GA coding practices because they often include private headers. However, they help us debug or time our GA library.
Running “make check” will build most test and example programs (See “make checkprogs” notes above) in addition to running the test suite. The test suite runs both the serial and parallel tests. The test suite must know how to launch the parallel tests via the MPIEXEC variable. Please read your MPI flavor’s documentation on how to launch, or if using TCGMSG you will use the “parallel” tool. For example, the following is the command to launch the test suite when compiled with OpenMPI:
make check MPIEXEC="mpiexec -np 4"
All tests have a per-test log file containing the output of the test. So if the test is global/testing/test.x, the log file would be global/testing/test.log. The output of failed tests is collected in the top-level log summary test-suite.log.
The test suite will recurse into the ComEx directory and run the ComEx test suite first. If the ComEx test suite fails, the GA test suite will not run (the assumption here is that you should fix bugs in the dependent library first.) To run only the GA test suite, type “make check-ga” with the appropriate MPIEXEC variable.
Setting an environment variable MA_USE_ARMCI_MEM forces MA library to use ARMCI memory, communication via which can be faster on networks like GM, VIA and InfiniBand.
The CMake build only supports the MPI-based runtimes so GA can only be built using MPI two-sided, MPI progress ranks, MPI thread multiple, MPI progress threads and MPI-3 (MPI RMA) runtimes. We recommend using MPI two-sided/MPI progress ranks based approach.
- CMake (v3.18+)
- MPI
- BLAS / LAPACK (Optional)
ENABLE_CXX[Default:ON]ENABLE_FORTRAN[Default:ON]ENABLE_TESTSBuild GA testsuite. [Default:ON]GA_RUNTIME[Default: MPI_2SIDED] Options are- MPI_2SIDED (Default) use simple MPI-2 sided runtime
- MPI_PROGRESS_RANK Use progress ranks runtime
- MPI_MULTITHREADED Use thread multiple runtime
- MPI_PROGRESS_THREAD Use progress thread runtime
- MPI_RMA Use MPI RMA based runtime.
ENABLE_SYSVEnable System V Shared MemoryENABLE_PROFILINGBuild GA operation profiler. Does not work when using Clang compilers. [Default:OFF]GA_EXTRA_LIBSSpecify additional libraries or linker options when building GA.GCCROOTSpecify root of GCC installation. Only required when building with Clang compilers.ENABLE_BLASUse an external BLAS library. [Default:OFF]Note:ENABLE_BLAS=OFFbuilds internal (netlib)BLAS.- Only
IntelMKL,IBMESSL,BLIS,OpenBLAS,ReferenceBLAS(Netlib) are supported. - Need to provide the following cmake options if
ENABLE_BLAS=ONLINALG_VENDOR: Should be one ofIntelMKL,IBMESSL,BLIS,OpenBLAS,ReferenceBLAS(Netlib)LINALG_PREFIX: Specify root of the LinAlg libraries installation. If the various libraries are in different locations, one needs to setBLAS_PREFIX,LAPACK_PREFIX,ScaLAPACK_PREFIXindividually. These three options are set to theLINALG_PREFIXprovided by default unless explicitly set otherwise.LINALG_THREAD_LAYER: Options areopenmp(default),sequentialforIntelMKLandsmp(default) forIBMESSL. Does not apply to other BLAS libraries.LINALG_REQUIRED_COMPONENTS: Options arelp64orilp64. [Default:lp64]LINALG_OPTIONAL_COMPONENTS:sycl[Default:none]ENABLE_SCALAPACK: To enable ScaLAPACK discovery.
[OPTIONAL]CTEST options for handling different types of job launchers and their parameters.GA_JOB_LAUNCH_CMD:mpirunGA_JOB_LAUNCH_ARGS:"-n 5"
The following options are standard CMake parameters. More information about them can be found in the CMake documentation.
CMAKE_INSTALL_PREFIXSpecify the install location for GA.CMAKE_BUILD_TYPE[Default:RELEASE] The options are:- RELWITHDEBINFO This will be compiled in a release mode but with debugger information (-g) included
- RELEASE Compiled in release mode and no debugger information is included in the code
- DEBUG Compiled with internal debugger information
BUILD_SHARED_LIBSBuild GA as a shared library. [Default:OFF]
If there is a missing feature that you would like to be added to the CMake build, please submit a feature request to our GitHub issue tracker.
Sample CMake invocation for Linux/MAC users
- A minimal invocation with defaults for all options:
CC=gcc CXX=g++ FC=gfortran cmake -DCMAKE_INSTALL_PREFIX=$HOME/ga_install
- A more complete invocation that shows most options:
CC=gcc CXX=g++ FC=gfortran cmake -DCMAKE_INSTALL_PREFIX=$HOME/ga_install \ -DGA_RUNTIME=MPI_PROGRESS_RANK \ -DENABLE_BLAS=ON -DLINALG_VENDOR=IntelMKL -DLINALG_PREFIX=/opt/intel/mkl \ -DENABLE_TESTS=ON -DENABLE_CXX=ON -DENABLE_FORTRAN=ON -DENABLE_PROFILING=OFF
Sample CMake invocation for Windows users.
ENABLE_FORTRAN=OFFoption is needed for Windows build.- We do not recommend using the
BLASandPROFILINGoptions as they are not tested for Windows builds.
cmake ^ -D ENABLE_FORTRAN=OFF ^ -D GA_RUNTIME=MPI_2SIDED ^ -D CMAKE_INSTALL_PREFIX:PATH="\my\GA\install\path" ^ .. cmake --build . --config Release cmake --build . --config Release --target install
Known issues: The CMake build currently does not work with IBM XL compilers.