ROL
gross-pitaevskii/example_01.cpp
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43
70#include "example_01.hpp"
72#include "ROL_CompositeStep.hpp"
73
74typedef double RealT;
75
76int main(int argc, char **argv) {
77
78 // Set up MPI
79 Teuchos::GlobalMPISession mpiSession(&argc, &argv);
80
81 // This little trick lets us print to std::cout only if a (dummy) command-line argument is provided.
82 int iprint = argc - 1;
83 ROL::Ptr<std::ostream> outStream;
84 ROL::nullstream bhs; // outputs nothing
85 if (iprint > 0)
86 outStream = ROL::makePtrFromRef(std::cout);
87 else
88 outStream = ROL::makePtrFromRef(bhs);
89
90 int errorFlag = 0;
91
92 ROL::ParameterList parlist;
93
94 std::string paramfile = "parameters.xml";
95 auto gplist = ROL::getParametersFromXmlFile( paramfile );
96
97 int nx = gplist -> get("Interior Grid Points",100);
98 RealT gnl = gplist -> get("Nonlinearity Coefficient g",50.0);
99
100 // Grid spacing
101 RealT dx = 1.0/(nx+1);
102
103 // Pointer to linspace type vector \f$x_i = \frac{i+1}{n_x+1}\f$ where \f$i=0,\hdots,n_x\f$
104 ROL::Ptr<std::vector<RealT> > xi_ptr = ROL::makePtr<std::vector<RealT>>(nx, 0.0);
105
106 for(int i=0; i<nx; ++i) {
107 (*xi_ptr)[i] = RealT(i+1)/(nx+1);
108 }
109
110 // Pointer to potential vector (quadratic centered at x=0.5)
111 ROL::Ptr<std::vector<RealT> > V_ptr = ROL::makePtr<std::vector<RealT>>(nx, 0.0);
112 for(int i=0; i<nx; ++i) {
113 (*V_ptr)[i] = 100.0*pow((*xi_ptr)[i]-0.5,2);
114 }
115
116 StdVector<RealT> V(V_ptr);
117
118 // Iteration Vector (pointer to optimzation vector)
119 ROL::Ptr<std::vector<RealT> > psi_ptr = ROL::makePtr<std::vector<RealT>>(nx, 0.0);
120
121
122 // Set Initial Guess (normalized)
123 RealT sqrt30 = sqrt(30);
124
125 for (int i=0; i<nx; i++) {
126 (*psi_ptr)[i] = sqrt30*(*xi_ptr)[i]*(1.0-(*xi_ptr)[i]);
127 }
128
129 StdVector<RealT> psi(psi_ptr);
130
131 // Constraint value (scalar)
132 ROL::Ptr<std::vector<RealT> > c_ptr = ROL::makePtr<std::vector<RealT>>(1, 0.0);
133 StdVector<RealT> c(c_ptr);
134
135 // Lagrange multiplier value (scalar)
136 ROL::Ptr<std::vector<RealT> > lam_ptr = ROL::makePtr<std::vector<RealT>>(1, 0.0);
137 StdVector<RealT> lam(lam_ptr);
138
139 // Gradient
140 ROL::Ptr<std::vector<RealT> > g_ptr = ROL::makePtr<std::vector<RealT>>(nx, 0.0);
141 StdVector<RealT> g(g_ptr);
142
143 // Instantiate objective function
145
146 // Instantiate normalization constraint
148
149 // Define algorithm.
150 std::string stepname = "Composite Step";
151 parlist.sublist("Step").sublist(stepname).sublist("Optimality System Solver").set("Nominal Relative Tolerance",1e-4);
152 parlist.sublist("Step").sublist(stepname).sublist("Optimality System Solver").set("Fix Tolerance",true);
153 parlist.sublist("Step").sublist(stepname).sublist("Tangential Subproblem Solver").set("Iteration Limit",20);
154 parlist.sublist("Step").sublist(stepname).sublist("Tangential Subproblem Solver").set("Relative Tolerance",1e-2);
155 parlist.sublist("Step").sublist(stepname).set("Output Level",0);
156 parlist.sublist("Status Test").set("Gradient Tolerance",1.e-12);
157 parlist.sublist("Status Test").set("Constraint Tolerance",1.e-12);
158 parlist.sublist("Status Test").set("Step Tolerance",1.e-14);
159 parlist.sublist("Status Test").set("Iteration Limit",100);
160 ROL::Ptr<ROL::StatusTest<RealT>>
161 status = ROL::makePtr<ROL::ConstraintStatusTest<RealT>>(parlist);
162 ROL::Ptr<ROL::Step<RealT>>
163 step = ROL::makePtr<ROL::CompositeStep<RealT>>(parlist);
164 ROL::Algorithm<RealT> algo(step,status,false);
165
166 // Run algorithm.
167 algo.run(psi, g, lam, c, obj, constr, true, *outStream);
168
169
170 if(algo.getState()->gnorm>1e-6) {
171 errorFlag += 1;
172 }
173
174 if (errorFlag != 0)
175 std::cout << "End Result: TEST FAILED\n";
176 else
177 std::cout << "End Result: TEST PASSED\n";
178
179
180
181 return 0;
182
183}
Vector< Real > V
Provides an interface to run optimization algorithms.
Provides the ROL::Vector interface for scalar values, to be used, for example, with scalar constraint...
Defines the linear algebra or vector space interface.
int main(int argc, char **argv)