Project ID: plumID:22.039
Stderr for source: urea_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 InterFace.nT6UvG.cpp:24:
/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 /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 PairEntropy.7zYUau.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])
|
PairEntropy.7zYUau.cpp: In member function ‘virtual void PLMD::colvar::PairEntropy::calculate()’:
PairEntropy.7zYUau.cpp:264:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
264 | if (minBin > (nhist-1)) minBin=nhist-1;
| ~~~~~~~^~~~~~~~~~~
PairEntropy.7zYUau.cpp:266:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
266 | if (maxBin > (nhist-1)) maxBin=nhist-1;
| ~~~~~~~^~~~~~~~~~~
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 ManyAngle.67ZTSL.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 ManyAngle.67ZTSL.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
|
ManyAngle.67ZTSL.cpp: In static member function ‘static void PLMD::colvar::ManyAngle::registerKeywords(PLMD::Keywords&)’:
ManyAngle.67ZTSL.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("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 );
| ^~~~~~~~~~~~~~~~~~
ManyAngle.67ZTSL.cpp:97:26: 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]
97 | 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 );
| ^~~~~~~~~~~~~~~~~~
ManyAngle.67ZTSL.cpp: In constructor ‘PLMD::colvar::ManyAngle::ManyAngle(const PLMD::ActionOptions&)’:
ManyAngle.67ZTSL.cpp:68:27: warning: ‘PLMD::colvar::ManyAngle::moment2’ will be initialized after [-Wreorder]
68 | bool pbc, serial, mean, moment2;
| ^~~~~~~
ManyAngle.67ZTSL.cpp:68:13: warning: ‘bool PLMD::colvar::ManyAngle::serial’ [-Wreorder]
68 | bool pbc, serial, mean, moment2;
| ^~~~~~
ManyAngle.67ZTSL.cpp:100:1: warning: when initialized here [-Wreorder]
100 | ManyAngle::ManyAngle(const ActionOptions&ao):
| ^~~~~~~~~
ManyAngle.67ZTSL.cpp:124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
124 | if(mean) addComponentWithDerivatives("mean"); componentIsNotPeriodic("mean"); moments[0]=getPntrToComponent("mean"); // (Z)
| ^~
ManyAngle.67ZTSL.cpp:124:49: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
124 | if(mean) addComponentWithDerivatives("mean"); componentIsNotPeriodic("mean"); moments[0]=getPntrToComponent("mean"); // (Z)
| ^~~~~~~~~~~~~~~~~~~~~~
ManyAngle.67ZTSL.cpp:125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
125 | if(moment2) addComponentWithDerivatives("moment2"); componentIsNotPeriodic("moment2"); moments[1]=getPntrToComponent("moment2"); // (Z)
| ^~
ManyAngle.67ZTSL.cpp:125:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
125 | if(moment2) addComponentWithDerivatives("moment2"); componentIsNotPeriodic("moment2"); moments[1]=getPntrToComponent("moment2"); // (Z)
| ^~~~~~~~~~~~~~~~~~~~~~