parameter name parallel tempering

src/mc.cpp

@@ -69,7 +69,7 @@ void mc::_do_update() {
 	}
 }
 
-void mc::_pt_update_param(double new_param, const std::string &new_dir) {
+void mc::_pt_update_param(const std::string& param_name, double new_param, const std::string &new_dir) {
 	// take over the bins of the new target dir
 	{
 		iodump dump_file = iodump::open_readonly(new_dir + ".dump.h5");
@@ -86,7 +86,7 @@ void mc::_pt_update_param(double new_param, const std::string &new_dir) {
 		                *unclean));
 	}
 
-	pt_update_param(new_param);
+	pt_update_param(param_name, new_param);
 }
 
 void mc::pt_measure_statistics() {
@@ -97,8 +97,8 @@ void mc::pt_measure_statistics() {
 	}
 }
 
-double mc::_pt_weight_ratio(double new_param) {
-	double wr = pt_weight_ratio(new_param);
+double mc::_pt_weight_ratio(const std::string& param_name, double new_param) {
+	double wr = pt_weight_ratio(param_name, new_param);
 	return wr;
 }
 

src/mc.h

@@ -32,10 +32,10 @@ protected:
 	virtual void write_output(const std::string &filename);
 	virtual void do_update() = 0;
 	virtual void do_measurement() = 0;
-	virtual void pt_update_param(double /*new_param*/) {
+	virtual void pt_update_param(const std::string& /*param_name*/, double /*new_param*/) {
 		throw std::runtime_error{"running parallel tempering, but pt_update_param not implemented"};
 	}
-	virtual double pt_weight_ratio(double /*new_param*/) {
+	virtual double pt_weight_ratio(const std::string& /*param_name*/, double /*new_param*/) {
 		throw std::runtime_error{"running parallel tempering, but pt_weight_ratio not implemented"};
 		return 1;
 	}
@@ -61,8 +61,8 @@ public:
 
 	void _do_update();
 	void _do_measurement();
-	void _pt_update_param(double new_param, const std::string &new_dir);
-	double _pt_weight_ratio(double new_param);
+	void _pt_update_param(const std::string& param_name, double new_param, const std::string &new_dir);
+	double _pt_weight_ratio(const std::string& param_name, double new_param);
 
 	void pt_measure_statistics();
 

src/runner_pt.cpp

@@ -406,7 +406,7 @@ int runner_pt_master::assign_new_chain(int rank_section) {
 
 	for(int target = 0; target < chain_len_; target++) {
 		int msg[3] = {-1, 0, 0};
-		if(chain_run_id >= 0) {
+		if(chain_run_id > 0) {
 			auto &chain_run = pt_chain_runs_[chain_run_id];
 			auto &chain = pt_chains_[chain_run.id];
 			msg[0] = chain.task_ids[target];
@@ -634,10 +634,12 @@ void runner_pt_slave::pt_global_update() {
 	MPI_Recv(&response, 1, MPI_INT, MASTER, 0, MPI_COMM_WORLD, MPI_STATUS_IGNORE);
 	// job_.log(fmt::format(" * rank {}: ready for global update", rank_));
 
+	const std::string& param_name = job_.jobfile["jobconfig"].get<std::string>("parallel_tempering_parameter");
+
 	if(response == GA_CALC_WEIGHT) {
 		double partner_param;
 		MPI_Recv(&partner_param, 1, MPI_DOUBLE, MASTER, 0, MPI_COMM_WORLD, MPI_STATUS_IGNORE);
-		double weight_ratio = sys_->_pt_weight_ratio(partner_param);
+		double weight_ratio = sys_->_pt_weight_ratio(param_name, partner_param);
 		MPI_Send(&weight_ratio, 1, MPI_DOUBLE, MASTER, 0, MPI_COMM_WORLD);
 		// job_.log(fmt::format(" * rank {}: weight sent", rank_));
 	} else {
@@ -663,7 +665,7 @@ void runner_pt_slave::pt_global_update() {
 		task_id_ = new_task_id;
 		sweeps_per_global_update_ = job_.jobfile["tasks"][job_.task_names[task_id_]].get<int>(
 		    "pt_sweeps_per_global_update");
-		sys_->_pt_update_param(new_param, job_.rundir(task_id_, run_id_));
+		sys_->_pt_update_param(param_name, new_param, job_.rundir(task_id_, run_id_));
 	}
 	current_param_ = new_param;
 }