qmc_common.cpp

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//////////////////////////////////////////////////////////////////////////////////////
// This file is distributed under the University of Illinois/NCSA Open Source License.
// See LICENSE file in top directory for details.
//
// Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
//
// File developed by: Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
//                    Anouar Benali, benali@anl.gov, Argonne National Laboratory
//                    Jaron T. Krogel, krogeljt@ornl.gov, Oak Ridge National Laboratory
//                    Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//                    Paul R. C. Kent, kentpr@ornl.gov, Oak Ridge National Laboratory
//                    Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
//
// File created by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//////////////////////////////////////////////////////////////////////////////////////


#include "qmc_common.h"
#include "config.h"
#include "qmcpack_version.h"
#include "Message/Communicate.h"
#include "Platforms/Host/OutputManager.h"

namespace qmcplusplus
{
QMCState::QMCState() = default;

void QMCState::initialize(int argc, char** argv)
{
  io_node     = (OHMMS::Controller->rank() == 0);
  bool stopit = false;
  //going to use better option library
  int i = 1;
  while (i < argc)
  {
    std::string c(argv[i]);
    if (c.find("--dryrun") < c.size())
    {
      dryrun = true;
    }
    else if (c.find("--save_wfs") < c.size())
    {
      if (io_node)
        std::cerr << std::endl
                  << "ERROR: command line option --save_wfs has been removed."
                  << "Use save_coefs input tag as described in the manual." << std::endl;
      stopit = true;
    }
    else if (c.find("--help") < c.size())
    {
      stopit = true;
    }
    else if (c.find("--version") < c.size())
    {
      stopit = true;
    }
    else if (c.find("--vacuum") < c.size())
    {
      if (io_node)
        std::cerr << std::endl
                  << "ERROR: command line option --vacuum has been removed. "
                  << "Use vacuum input tag as described in the manual." << std::endl;
      stopit = true;
    }
    else if (c.find("--noprint") < c.size())
    { //do not print Jastrow or PP
      io_node = false;
    }
    ++i;
  }
  if (stopit && io_node)
  {
    std::cerr << std::endl
              << "QMCPACK version " << QMCPACK_VERSION_MAJOR << "." << QMCPACK_VERSION_MINOR << "."
              << QMCPACK_VERSION_PATCH << " built on " << __DATE__ << std::endl;
    print_git_info_if_present(std::cerr);
    std::cerr << std::endl << "Usage: qmcpack input [--dryrun --gpu]" << std::endl << std::endl;
  }
  if (stopit)
  {
    OHMMS::Controller->finalize();
    exit(1);
  }
}

void QMCState::print_options(std::ostream& os)
{
  os << "  Global options " << std::endl;
  if (dryrun)
    os << "  dryrun : All QMC and loop sections will be skipped." << std::endl;
}

void QMCState::print_memory_change(const std::string& who, size_t before)
{
  before = memory_allocated - before;
  app_log() << "MEMORY increase " << (before >> 20) << " MB " << who << std::endl;
}

void QMCState::print_git_info_if_present(std::ostream& os)
{
#ifdef QMCPACK_GIT_BRANCH
  os << std::endl;
  os << "  Git branch: " << QMCPACK_GIT_BRANCH << std::endl;
  os << "  Last git commit: " << QMCPACK_GIT_HASH << std::endl;
  os << "  Last git commit date: " << QMCPACK_GIT_COMMIT_LAST_CHANGED << std::endl;
  os << "  Last git commit subject: " << QMCPACK_GIT_COMMIT_SUBJECT << std::endl;
#endif
}


QMCState qmc_common;

} // namespace qmcplusplus