Project ID: plumID:20.018
Stderr for source: na/plumed.inp
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#! Only the first 1000 rows of the error file are shown below #! To inspect the full error file, please download the zipped raw stderr file above WARNING: using a legacy ActionRegister.h include path, please use <<#include "core/ActionRegister.h">> PairEntropy.MZPDwg.cpp: In constructor ‘PLMD::NeighborListParallel::NeighborListParallel(const std::vector<PLMD::AtomNumber>&, const std::vector<PLMD::AtomNumber>&, const bool&, const bool&, const PLMD::Pbc&, PLMD::Communicator&, PLMD::Log&, const double&, const bool&, const int&, const double&)’: PairEntropy.MZPDwg.cpp:65:8: warning: ‘PLMD::NeighborListParallel::mylog’ will be initialized after [-Wreorder] 65 | Log& mylog; | ^~~~~ PairEntropy.MZPDwg.cpp:54:21: warning: ‘double PLMD::NeighborListParallel::skin_’ [-Wreorder] 54 | double distance_, skin_; | ^~~~~ PairEntropy.MZPDwg.cpp:180:1: warning: when initialized here [-Wreorder] 180 | NeighborListParallel::NeighborListParallel(const vector& list0, const vector & list1, | ^~~~~~~~~~~~~~~~~~~~ PairEntropy.MZPDwg.cpp:54:21: warning: ‘PLMD::NeighborListParallel::skin_’ will be initialized after [-Wreorder] 54 | double distance_, skin_; | ^~~~~ PairEntropy.MZPDwg.cpp:42:8: warning: ‘bool PLMD::NeighborListParallel::do_full_list_’ [-Wreorder] 42 | bool do_full_list_; | ^~~~~~~~~~~~~ PairEntropy.MZPDwg.cpp:180:1: warning: when initialized here [-Wreorder] 180 | NeighborListParallel::NeighborListParallel(const vector & list0, const vector & list1, | ^~~~~~~~~~~~~~~~~~~~ PairEntropy.MZPDwg.cpp: In constructor ‘PLMD::NeighborListParallel::NeighborListParallel(const std::vector<PLMD::AtomNumber>&, const bool&, const PLMD::Pbc&, PLMD::Communicator&, PLMD::Log&, const double&, const bool&, const int&, const double&)’: PairEntropy.MZPDwg.cpp:65:8: warning: ‘PLMD::NeighborListParallel::mylog’ will be initialized after [-Wreorder] 65 | Log& mylog; | ^~~~~ PairEntropy.MZPDwg.cpp:54:21: warning: ‘double PLMD::NeighborListParallel::skin_’ [-Wreorder] 54 | double distance_, skin_; | ^~~~~ PairEntropy.MZPDwg.cpp:212:1: warning: when initialized here [-Wreorder] 212 | NeighborListParallel::NeighborListParallel(const vector & list0, const bool& do_pbc, | ^~~~~~~~~~~~~~~~~~~~ PairEntropy.MZPDwg.cpp:54:21: warning: ‘PLMD::NeighborListParallel::skin_’ will be initialized after [-Wreorder] 54 | double distance_, skin_; | ^~~~~ PairEntropy.MZPDwg.cpp:42:8: warning: ‘bool PLMD::NeighborListParallel::do_full_list_’ [-Wreorder] 42 | bool do_full_list_; | ^~~~~~~~~~~~~ PairEntropy.MZPDwg.cpp:212:1: warning: when initialized here [-Wreorder] 212 | NeighborListParallel::NeighborListParallel(const vector & list0, const bool& do_pbc, | ^~~~~~~~~~~~~~~~~~~~ PairEntropy.MZPDwg.cpp: In member function ‘void PLMD::NeighborListParallel::updateFullListWithLinkedList(const std::vector<PLMD::VectorGeneric<3> >&)’: PairEntropy.MZPDwg.cpp:313:47: warning: variable ‘atombin’ set but not used [-Wunused-but-set-variable] 313 | unsigned atombinx, atombiny, atombinz, atombin; | ^~~~~~~ PairEntropy.MZPDwg.cpp:337:47: warning: variable ‘atombin’ set but not used [-Wunused-but-set-variable] 337 | unsigned atombinx, atombiny, atombinz, atombin; | ^~~~~~~ PairEntropy.MZPDwg.cpp: In member function ‘void PLMD::NeighborListParallel::updateHalfListWithLinkedList(const std::vector<PLMD::VectorGeneric<3> >&)’: PairEntropy.MZPDwg.cpp:377:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 377 | if (j>=i) continue; | ~^~~ PairEntropy.MZPDwg.cpp:371:47: warning: variable ‘atombin’ set but not used [-Wunused-but-set-variable] 371 | unsigned atombinx, atombiny, atombinz, atombin; | ^~~~~~~ PairEntropy.MZPDwg.cpp:395:47: warning: variable ‘atombin’ set but not used [-Wunused-but-set-variable] 395 | unsigned atombinx, atombiny, atombinz, atombin; | ^~~~~~~ PairEntropy.MZPDwg.cpp: In member function ‘void PLMD::NeighborListParallel::gatherStats(const std::vector<PLMD::VectorGeneric<3> >&)’: PairEntropy.MZPDwg.cpp:496:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare] 496 | for(unsigned int i=0;i<mycomm.Get_size();i+=1) allNeighNum+=neighbors_ranks_[i]; | ~^~~~~~~~~~~~~~~~~~ PairEntropy.MZPDwg.cpp: In member function ‘virtual void PLMD::colvar::PairEntropy::calculate()’: PairEntropy.MZPDwg.cpp:990:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 990 | if (minBin > (nhist-1)) minBin=nhist-1; | ~~~~~~~^~~~~~~~~~~ PairEntropy.MZPDwg.cpp:992:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 992 | if (maxBin > (nhist-1)) maxBin=nhist-1; | ~~~~~~~^~~~~~~~~~~ PairEntropy.MZPDwg.cpp:1032:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 1032 | if (minBin > (nhist-1)) minBin=nhist-1; | ~~~~~~~^~~~~~~~~~~ PairEntropy.MZPDwg.cpp:1034:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 1034 | if (maxBin > (nhist-1)) maxBin=nhist-1; | ~~~~~~~^~~~~~~~~~~ PairEntropy.MZPDwg.cpp:1062:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 1062 | if (minBin > (nhist-1)) minBin=nhist-1; | ~~~~~~~^~~~~~~~~~~ PairEntropy.MZPDwg.cpp:1064:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare] 1064 | if (maxBin > (nhist-1)) maxBin=nhist-1; | ~~~~~~~^~~~~~~~~~~ ERROR : in input for command line tool driver : (core/Action.cpp:375) void PLMD::Action::error(const std::string&) const ERROR in input to action HISTOGRAM with label @s130 : set NORMALIZATION=true/false when using LOGWEIGHTS as otherwise the weights are ignored. Alternatively, learn to use the new syntax for histograms with KDE/ACCUMULATE to have more control over what PLUMED is calculating </pre>