Merge remote-tracking branch 'origin/master' into tweak_accum_memory

If the DCA++ code contributes to your research, we kindly ask to acknowledge this in any resulting scientific publication by citing the following paper:

Urs R. Hähner, Gonzalo Alvarez, Thomas A. Maier, Raffaele Solcà, Peter Staar, Michael S. Summers, and Thomas C. Schulthess (2018).

*DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods.*

Manuscript submitted for publication.

Urs R. Hähner, Gonzalo Alvarez, Thomas A. Maier, Raffaele Solcà, Peter Staar, Michael S. Summers, and Thomas C. Schulthess,

*DCA++: A software framework to solve correlated electron problems with modern quantum cluster methods,*

Comput. Phys. Commun (2019),

10.1016/j.cpc.2019.01.006.

#

# Usage: cmake -C /path/to/this/file /path/to/DCA/source -D<option>=<value> ...

# Prevent CMake from searching for BLAS and LAPACK libraries.

# Paths to IBM's ESSL (preferred) and NETLIB-LAPACK will be set manually.

set(DCA_HAVE_LAPACK TRUE CACHE INTERNAL "If set to TRUE, prevents CMake from searching for LAPACK.")

# To give ESSL precedence it needs to be specified before NETLIB.

set(LAPACK_LIBRARIES $ENV{OLCF_ESSL_ROOT}/lib64/libessl.so;$ENV{OLCF_NETLIB_LAPACK_ROOT}/lib64/liblapack.so;$ENV{OLCF_NETLIB_LAPACK_ROOT}/lib64/libblas.so CACHE FILEPATH "Libraries to link against to use LAPACK.")

# Use jsrun for executing the tests.

set(TEST_RUNNER "jsrun" CACHE STRING "Command for executing (MPI) programs.")

set(MPIEXEC_NUMPROC_FLAG "--np" CACHE STRING

set(MPIEXEC_NUMPROC_FLAG "-a" CACHE STRING

  "Flag used by TEST_RUNNER to specify the number of processes.")

set(MPIEXEC_PREFLAGS "-g1 --smpiargs=none" CACHE STRING

# Use 1 resource set with 1 GPU and 8 cores for executing the tests.

set(MPIEXEC_PREFLAGS "-n 1 -g 1 -c 8" CACHE STRING

  "Flags to pass to TEST_RUNNER directly before the executable to run.")

# The flag "--smpiargs=none" is needed to execute tests with no MPI functionalities.

set(SMPIARGS_FLAG_NOMPI "--smpiargs=none" CACHE STRING

  "Spectrum MPI argument list flag for serial tests.")

# The flag "--smpiargs=-mxm" is a workaround (for now) to execute tests with MPI to avoid tests from failing.

# It uses Mellanox's protocol and bypasses PAMI for MPI communications.

set(SMPIARGS_FLAG_MPI "--smpiargs=-mxm" CACHE STRING "Spectrum MPI argument list flag for MPI tests.")

# Enable the GPU support.

option(DCA_WITH_CUDA "Enable GPU support." ON)

# Compile for Volta compute architecture.

set(CUDA_GPU_ARCH "sm_70" CACHE STRING "Name of the *real* architecture to build for.")

# Summit's static CUDA runtime is bugged.

option(CUDA_USE_STATIC_CUDA_RUNTIME OFF)

# For the GPU support we also need MAGMA.

set(MAGMA_DIR $ENV{OLCF_MAGMA_ROOT} CACHE PATH

  "Path to the MAGMA installation directory. Hint for CMake to find MAGMA.")

set(FFTW_DIR $ENV{OLCF_ROOT_FFTW} CACHE PATH

  "Path to the FFTW3 installation directory. Hint for CMake to find FFTW3.")

# FFTW paths.

set(FFTW_INCLUDE_DIR $ENV{OLCF_FFTW_ROOT}/include CACHE PATH "Path to fftw3.h.")

set(FFTW_LIBRARY $ENV{OLCF_FFTW_ROOT}/lib/libfftw3.so CACHE FILEPATH "The FFTW3(-compatible) library.")

#!/bin/bash

#

# Loads all modules that are required to build DCA++ on ORNL's Summit supercomputer.

# A reset is done at the beginning to restore to the default programming environment on Summit.

#

# Usage: source summit_load_modules.sh

module reset

module load gcc/6.4.0

module load cuda

module load hdf5

module load fftw

module load cmake

module load magma

module load netlib-lapack

module load essl

export CC=mpicc

export CXX=mpicxx

  set(DCA_PROFILER_INCLUDE "dca/profiling/counting_profiler.hpp")

elseif (DCA_PROFILER STREQUAL "PAPI")

  # TODO: Replace long long with std::size_t?

  set(DCA_PROFILING_EVENT_TYPE "dca::profiling::papi_and_time_event<long long>")  # Need quotes because of space in 'long long'.

  set(DCA_PROFILING_EVENT_TYPE "dca::profiling::PapiAndTimeEvent")

  set(DCA_PROFILING_EVENT_INCLUDE "dca/profiling/events/papi_and_time_event.hpp")

  set(DCA_PROFILER_TYPE dca::profiling::CountingProfiler<Event>)

  set(DCA_PROFILER_INCLUDE "dca/profiling/counting_profiler.hpp")

    add_test(NAME ${name}

             COMMAND ${TEST_RUNNER} ${MPIEXEC_NUMPROC_FLAG} ${DCA_ADD_GTEST_MPI_NUMPROC}

                     ${MPIEXEC_PREFLAGS} "$<TARGET_FILE:${name}>")

                     ${MPIEXEC_PREFLAGS} ${SMPIARGS_FLAG_MPI} "$<TARGET_FILE:${name}>")

                 target_link_libraries(${name} ${MPI_C_LIBRARIES})

  else()

    if (TEST_RUNNER)

      add_test(NAME ${name}

               COMMAND ${TEST_RUNNER} ${MPIEXEC_NUMPROC_FLAG} 1

	               ${MPIEXEC_PREFLAGS} "$<TARGET_FILE:${name}>")

	               ${MPIEXEC_PREFLAGS} ${SMPIARGS_FLAG_NOMPI} "$<TARGET_FILE:${name}>")

    else (TEST_RUNNER)

      add_test(NAME ${name}

               COMMAND "$<TARGET_FILE:${name}>")