pscf_rpc.cpp

/*
* PSCF - Polymer Self-Consistent Field
*
* Copyright 2015 - 2025, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include <rpc/system/System.h>
#include <prdc/crystal/getDimension.h>
#include <pscf/chem/PolymerModel.h>
#include <util/format/Int.h>
#include <util/misc/Log.h>
#include <util/misc/Memory.h>
 
#include <iostream>
 
namespace Pscf {
namespace Rpc {

   template <int D>
   void run(int argc, char **argv) {
      System<D> system;
 
      // Process command line options
      system.setOptions(argc, argv);
 
      // Read parameters from default parameter file
      system.readParam();
 
      // Prohibit later changes to global polymer model
      PolymerModel::lock();
 
      // Read command script and execute commands
      system.readCommands();
   }
 
}
}

int main(int argc, char **argv)
{
 
   using namespace Util;
   using namespace Pscf;
 
   // Extract the dimension of space from argument of -d option
   int D = Pscf::Prdc::getDimension(argc, argv);
   std::cout << "dimension   " << D << std::endl;
 
   // Run relevant template specialization
   if (1 == D) {
      Rpc::run<1>(argc, argv);
   } else
   if (2 == D) {
      Rpc::run<2>(argc, argv);
   } else
   if (3 == D) {
      Rpc::run<3>(argc, argv);
   } else {
      std::cout << " Invalid dimension = " << D << std::endl;
   }
 
   // Report memory usage
   Log::file() << "\nCPU heap array memory usage:";
   Log::file() << "\n  Maximum array memory = " 
               << Int(Memory::max(), 12) << " bytes";
   Log::file() << "\n  Final array memory   = " 
               << Int(Memory::total(), 12) << " bytes";
   Log::file() << std::endl;
 
   fftw_cleanup();
}