Unverified Commit 8960641b authored by Peter Doak's avatar Peter Doak Committed by GitHub
Browse files

Merge pull request #265 from PDoakORNL/single_measurement_G_k_w 

Write single measurement G_k_w
parents 878b549d 12972582

applications/analysis/main_analysis.cpp

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@@ -59,8 +59,12 @@ int main(int argc, char** argv) { 
  // Create and initialize the DCA data object and read the output of the DCA(+) calculation.

  DcaDataType dca_data(parameters);

  dca_data.initialize();

  #ifdef DCA_HAVE_ADIOS2

  adios2::ADIOS adios;

  dca_data.read(adios, parameters.get_directory() + parameters.get_filename_dca());

#else

  dca_data.read(parameters.get_directory() + parameters.get_filename_dca());



  #endif

  BseSolverType bse_solver(parameters, dca_data);

  bse_solver.calculateSusceptibilities();

applications/dca/main_dca.cpp

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@@ -12,7 +12,6 @@ 
// Usage: ./main_dca input_file.json



#include <string>



#include <iostream>



#include "dca/config/dca.hpp"

build-aux/summit_adios2.cmake

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@@ -13,7 +13,8 @@ set(DCA_ESSL_INCLUDES $ENV{OLCF_ESSL_ROOT}/include CACHE PATH "Path to ESSL incl 
mark_as_advanced(DCA_ESSL_INCLUDES)



option(DCA_WITH_ADIOS2 "Enable ADIOS2 support." ON)

set(ADIOS2_DIR "/gpfs/alpine/world-shared/cph102/epd/ADIOS2/build" CACHE PATH "Directory for ADIOS2")

#use -DCMAKE_PREFIX_PATH=${OLCF_ADIOS2_ROOT}

#set(ADIOS2_ROOT $ENV{OLCF_ADIOS2_ROOT} CACHE PATH "Directory for ADIOS2")



# Use jsrun for executing the tests.

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

build-aux/summit_adios2_build.sh

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# run summit_load_modules.sh before running this script.



cmake -DDCA_HAVE_LAPACK=ON -DLAPACK_LIBRARIES="${OLCF_ESSL_ROOT}/lib64/libessl.so;${OLCF_NETLIB_LAPACK_ROOT}/lib64/liblapack.so;${OLCF_NETLIB_LAPACK_ROOT}/lib64/libblas.so" -DDCA_ESSL_INCLUDES=${OLCF_ESSL_ROOT}/include -DDCA_WITH_ADIOS2=1 -DTEST_RUNNER=jsrun -DMPIEXEC_NUMPROC_FLAG="-n" -DMPIEXEC_PREFLAGS="-a 1 -g 1 -c 4" -DSMPIARGS_FLAG_NOMPI="--smpiargs=none" -DDCA_WITH_CUDA=1 -DDCA_WITH_CUDA_AWARE_MPI=1 -DCMAKE_CUDA_ARCHITECTURS=70 -DMAGMA_DIR="/gpfs/alpine/world-shared/cph102/epd/magma_cuda11" -DDCA_WITH_TESTS_FAST=ON -DDCA_WITH_TESTS_EXTENSIVE=ON -DFFTW_INCLUDE_DIR=${OLCF_FFTW_ROOT}/include -DFFTW_LIBRARY=${OLCF_FFTW_ROOT}/lib/libfftw3.so -DCMAKE_PREFIX_PATH=${OLCF_ADIOS2_ROOT} -GNinja ..

build-aux/summit_load_modules.sh

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@@ -11,9 +11,11 @@ module load cuda/11.1.1 # ldd shows magma is built with this cuda 
module load magma/2.6.1

module load hdf5

module load fftw

module load cmake/3.20.2 # at least 3.20 is required

module load cmake/3.21.3

module load netlib-lapack

module load essl

module load adios2

module load ninja



export CC=mpicc

export CXX=mpic++