Project ID: plumID:23.034
Stderr for source: full_model/plumed.dat
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WARNING: using a legacy ActionRegister.h include path, please use <<#include "core/ActionRegister.h">>
In file included from /home/runner/opt/include/plumed_master/colvar/../core/../tools/Tools.h:27,
from /home/runner/opt/include/plumed_master/colvar/../core/Action.h:28,
from /home/runner/opt/include/plumed_master/colvar/../core/ActionAtomistic.h:25,
from /home/runner/opt/include/plumed_master/colvar/../core/Colvar.h:25,
from /home/runner/opt/include/plumed_master/colvar/Colvar.h:24,
from PairOrientationalEntropy.NM6gH8.cpp:22:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Tensor.h:98: warning: ignoring ‘#pragma acc enter’ [-Wunknown-pragmas]
98 | #pragma acc enter data copyin(this[0:1], d, d[0:n*m-1])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Tensor.h:102: warning: ignoring ‘#pragma acc exit’ [-Wunknown-pragmas]
102 | #pragma acc exit data delete( d[0:n*m-1], d, this[0:1])
|
In file included from /home/runner/opt/include/plumed_master/colvar/../core/ActionAtomistic.h:27:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:94: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
94 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:100: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
100 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:102: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
102 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:108: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
108 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:112: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
112 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:116: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
116 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:120: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
120 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:123: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
123 | #pragma acc routine seq
|
In file included from /home/runner/opt/include/plumed_master/colvar/../core/Colvar.h:27:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:100: warning: ignoring ‘#pragma acc enter’ [-Wunknown-pragmas]
100 | #pragma acc enter data copyin(this[0:1],sz,data[0:sz])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:103: warning: ignoring ‘#pragma acc exit’ [-Wunknown-pragmas]
103 | #pragma acc exit data delete(data[0:sz],sz,this[0:1])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:117: warning: ignoring ‘#pragma acc enter’ [-Wunknown-pragmas]
117 | #pragma acc enter data copyin(this[0:1])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:123: warning: ignoring ‘#pragma acc exit’ [-Wunknown-pragmas]
123 | #pragma acc exit data delete( this[0:1])
|
PairOrientationalEntropy.NM6gH8.cpp: In constructor ‘PLMD::colvar::PairOrientationalEntropy::PairOrientationalEntropy(const PLMD::ActionOptions&)’:
PairOrientationalEntropy.NM6gH8.cpp:193:27: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
193 |     for(unsigned int i=0;i<nhist_[0];i++) {
PairOrientationalEntropy.NM6gH8.cpp:194:30: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
194 |        for(unsigned int j=0;j<nhist_[1];j++) {
PairOrientationalEntropy.NM6gH8.cpp:252:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
252 |   for(unsigned i=0;i<nhist_[0];++i){
PairOrientationalEntropy.NM6gH8.cpp:256:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
256 |   for(unsigned i=0;i<nhist_[1];++i){
PairOrientationalEntropy.NM6gH8.cpp: In member function ‘virtual void PLMD::colvar::PairOrientationalEntropy::calculate()’:
PairOrientationalEntropy.NM6gH8.cpp:511:24: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
511 |      for(unsigned i=0;i<nhist_[0];++i){
PairOrientationalEntropy.NM6gH8.cpp:512:27: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
512 |         for(unsigned j=0;j<nhist_[1];++j){
PairOrientationalEntropy.NM6gH8.cpp:523:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
523 |   for(unsigned i=0;i<nhist_[0];++i){
PairOrientationalEntropy.NM6gH8.cpp:524:24: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
524 |      for(unsigned j=0;j<nhist_[1];++j){
PairOrientationalEntropy.NM6gH8.cpp:562:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
562 |       for(unsigned i=0;i<nhist_[0];++i){
PairOrientationalEntropy.NM6gH8.cpp:563:27: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
563 |         for(unsigned j=0;j<nhist_[1];++j){
PairOrientationalEntropy.NM6gH8.cpp:581:23: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
581 |     for(unsigned i=0;i<nhist_[0];++i){
PairOrientationalEntropy.NM6gH8.cpp:582:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
582 |        for(unsigned j=0;j<nhist_[1];++j){
PairOrientationalEntropy.NM6gH8.cpp:593:23: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
593 |     for(unsigned i=0;i<nhist_[0];++i){
PairOrientationalEntropy.NM6gH8.cpp:594:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
594 |        for(unsigned j=0;j<nhist_[1];++j){
PairOrientationalEntropy.NM6gH8.cpp: In member function ‘double PLMD::colvar::PairOrientationalEntropy::integrate(PLMD::Matrix, std::vector) const’:
PairOrientationalEntropy.NM6gH8.cpp:626:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
626 |   for(unsigned i=1;i<(nhist_[0]-1);++i){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:627:24: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
627 |      for(unsigned j=1;j<(nhist_[1]-1);++j){
|                       ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:632:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
632 |   for(unsigned i=1;i<(nhist_[0]-1);++i){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:636:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
636 |   for(unsigned j=1;j<(nhist_[1]-1);++j){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp: In member function ‘PLMD::Vector PLMD::colvar::PairOrientationalEntropy::integrate(PLMD::Matrix<PLMD::VectorGeneric<3> >, std::vector) const’:
PairOrientationalEntropy.NM6gH8.cpp:653:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
653 |   for(unsigned i=1;i<(nhist_[0]-1);++i){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:654:24: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
654 |      for(unsigned j=1;j<(nhist_[1]-1);++j){
|                       ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:659:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
659 |   for(unsigned i=1;i<(nhist_[0]-1);++i){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:663:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
663 |   for(unsigned j=1;j<(nhist_[1]-1);++j){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp: In member function ‘PLMD::Tensor PLMD::colvar::PairOrientationalEntropy::integrate(PLMD::Matrix<PLMD::TensorGeneric<3, 3> >, std::vector) const’:
PairOrientationalEntropy.NM6gH8.cpp:680:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
680 |   for(unsigned i=1;i<(nhist_[0]-1);++i){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:681:24: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
681 |      for(unsigned j=1;j<(nhist_[1]-1);++j){
|                       ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:686:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
686 |   for(unsigned i=1;i<(nhist_[0]-1);++i){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp:690:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
690 |   for(unsigned j=1;j<(nhist_[1]-1);++j){
|                    ~^~~~~~~~~~~~~~
PairOrientationalEntropy.NM6gH8.cpp: In member function ‘void PLMD::colvar::PairOrientationalEntropy::outputGofr(PLMD::Matrix, const char*)’:
PairOrientationalEntropy.NM6gH8.cpp:705:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
705 |   for(unsigned i=0;i<nhist_[0];++i){
PairOrientationalEntropy.NM6gH8.cpp:706:24: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator, int>::value_type’ {aka ‘int’} [-Wsign-compare]
706 |      for(unsigned j=0;j<nhist_[1];++j){
WARNING: using a legacy ActionRegister.h include path, please use <<#include "core/ActionRegister.h">>
In file included from /home/runner/opt/include/plumed_master/colvar/../core/../tools/Tools.h:27,
from /home/runner/opt/include/plumed_master/colvar/../core/Action.h:28,
from /home/runner/opt/include/plumed_master/colvar/../core/ActionAtomistic.h:25,
from /home/runner/opt/include/plumed_master/colvar/../core/Colvar.h:25,
from /home/runner/opt/include/plumed_master/colvar/Colvar.h:24,
from ManyAnglePlus.Lb93gv.cpp:22:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Tensor.h:98: warning: ignoring ‘#pragma acc enter’ [-Wunknown-pragmas]
98 | #pragma acc enter data copyin(this[0:1], d, d[0:n*m-1])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Tensor.h:102: warning: ignoring ‘#pragma acc exit’ [-Wunknown-pragmas]
102 | #pragma acc exit data delete( d[0:n*m-1], d, this[0:1])
|
In file included from /home/runner/opt/include/plumed_master/colvar/../core/ActionAtomistic.h:27:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:94: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
94 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:100: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
100 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:102: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
102 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:108: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
108 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:112: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
112 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:116: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
116 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:120: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
120 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Pbc.h:123: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
123 | #pragma acc routine seq
|
In file included from /home/runner/opt/include/plumed_master/colvar/../core/Colvar.h:27:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:100: warning: ignoring ‘#pragma acc enter’ [-Wunknown-pragmas]
100 | #pragma acc enter data copyin(this[0:1],sz,data[0:sz])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:103: warning: ignoring ‘#pragma acc exit’ [-Wunknown-pragmas]
103 | #pragma acc exit data delete(data[0:sz],sz,this[0:1])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:117: warning: ignoring ‘#pragma acc enter’ [-Wunknown-pragmas]
117 | #pragma acc enter data copyin(this[0:1])
|
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Matrix.h:123: warning: ignoring ‘#pragma acc exit’ [-Wunknown-pragmas]
123 | #pragma acc exit data delete( this[0:1])
|
In file included from ManyAnglePlus.Lb93gv.cpp:26:
/home/runner/opt/include/plumed_master/tools/Angle.h:43: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
43 | #pragma acc routine seq
|
/home/runner/opt/include/plumed_master/tools/Angle.h:46: warning: ignoring ‘#pragma acc routine’ [-Wunknown-pragmas]
46 | #pragma acc routine seq
|
ManyAnglePlus.Lb93gv.cpp: In static member function ‘static void PLMD::colvar::ManyAngle::registerKeywords(PLMD::Keywords&)’:
ManyAnglePlus.Lb93gv.cpp:95:26: warning: ‘void PLMD::Keywords::addOutputComponent(const std::string&, const std::string&, const std::string&)’ is deprecated: Use addOutputComponent with four argument and specify valid types for value from scalar/vector/matrix/grid [-Wdeprecated-declarations]
95 |   keys.addOutputComponent("mean","default","Return the 1st moment of angle variable"); //(Z)
|   ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /home/runner/opt/include/plumed_master/colvar/../core/Action.h:27:
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Keywords.h:268:8: note: declared here
268 |   void addOutputComponent( const std::string& name, const std::string& key, const std::string& descr );
|        ^~~~~~~~~~~~~~~~~~
ManyAnglePlus.Lb93gv.cpp:96:26: warning: ‘void PLMD::Keywords::addOutputComponent(const std::string&, const std::string&, const std::string&)’ is deprecated: Use addOutputComponent with four argument and specify valid types for value from scalar/vector/matrix/grid [-Wdeprecated-declarations]
96 |   keys.addOutputComponent("moment2","default","Return the 2nd moment of angle variable"); //(Z)
|   ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/home/runner/opt/include/plumed_master/colvar/../core/../tools/Keywords.h:268:8: note: declared here
268 |   void addOutputComponent( const std::string& name, const std::string& key, const std::string& descr );
|        ^~~~~~~~~~~~~~~~~~
ManyAnglePlus.Lb93gv.cpp: In constructor ‘PLMD::colvar::ManyAngle::ManyAngle(const PLMD::ActionOptions&)’:
ManyAnglePlus.Lb93gv.cpp:67:27: warning: ‘PLMD::colvar::ManyAngle::moment2’ will be initialized after [-Wreorder]
67 |   bool pbc, serial, mean, moment2;
|                           ^~~~~~~
ManyAnglePlus.Lb93gv.cpp:67:13: warning:   ‘bool PLMD::colvar::ManyAngle::serial’ [-Wreorder]
67 |   bool pbc, serial, mean, moment2;
|             ^~~~~~
ManyAnglePlus.Lb93gv.cpp:99:1: warning:   when initialized here [-Wreorder]
99 | ManyAngle::ManyAngle(const ActionOptions&ao):
| ^~~~~~~~~
ManyAnglePlus.Lb93gv.cpp:123:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
123 |   if(mean) addComponentWithDerivatives("mean"); componentIsNotPeriodic("mean"); moments[0]=getPntrToComponent("mean"); // (Z)
|   ^~
ManyAnglePlus.Lb93gv.cpp:123:49: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
123 |   if(mean) addComponentWithDerivatives("mean"); componentIsNotPeriodic("mean"); moments[0]=getPntrToComponent("mean"); // (Z)
|                                                 ^~~~~~~~~~~~~~~~~~~~~~
ManyAnglePlus.Lb93gv.cpp:124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
124 |   if(moment2) addComponentWithDerivatives("moment2"); componentIsNotPeriodic("moment2"); moments[1]=getPntrToComponent("moment2"); // (Z)
|   ^~
ManyAnglePlus.Lb93gv.cpp:124:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
124 |   if(moment2) addComponentWithDerivatives("moment2"); componentIsNotPeriodic("moment2"); moments[1]=getPntrToComponent("moment2"); // (Z)
|                                                       ^~~~~~~~~~~~~~~~~~~~~~
</pre>