Project ID: plumID:22.002
Stderr for source: OAH-G6/plumed.dat
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WARNING: using a legacy ActionRegister.h include path, please use <<#include "core/ActionRegister.h">>
WARNING: "core/Atoms.h" does not exist anymore in version >=2.10, you should change your code.
In file included from /home/runner/opt/include/plumed_master/core/../tools/Tools.h:27,
from /home/runner/opt/include/plumed_master/core/Action.h:28,
from /home/runner/opt/include/plumed_master/core/ActionWithValue.h:25,
from GAMBES_log_static_few.lYO63f.cpp:23:
/home/runner/opt/include/plumed_master/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/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 GAMBES_log_static_few.lYO63f.cpp:30:
/home/runner/opt/include/plumed_master/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/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/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/tools/Matrix.h:123: warning: ignoring ‘#pragma acc exit’ [-Wunknown-pragmas]
123 | #pragma acc exit data delete( this[0:1])
|
GAMBES_log_static_few.lYO63f.cpp: In static member function ‘static void PLMD::bias::GAMBESL::registerKeywords(PLMD::Keywords&)’:
GAMBES_log_static_few.lYO63f.cpp:100:26: 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]
100 | keys.addOutputComponent("_factors","default","two or more weighing factors for bias"
| ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
101 | "these quantities will named with the gaussian number followed by "
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
102 | "the character string _factors. These quantities tell the user the value of the factor ");
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /home/runner/opt/include/plumed_master/core/Action.h:27:
/home/runner/opt/include/plumed_master/core/../tools/Keywords.h:268:8: note: declared here
268 | void addOutputComponent( const std::string& name, const std::string& key, const std::string& descr );
| ^~~~~~~~~~~~~~~~~~
GAMBES_log_static_few.lYO63f.cpp:103:26: 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]
103 | keys.addOutputComponent("_averages","AVERAGES","two or more the averages");
| ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/home/runner/opt/include/plumed_master/core/../tools/Keywords.h:268:8: note: declared here
268 | void addOutputComponent( const std::string& name, const std::string& key, const std::string& descr );
| ^~~~~~~~~~~~~~~~~~
GAMBES_log_static_few.lYO63f.cpp: In member function ‘virtual void PLMD::bias::GAMBESL::prepare()’:
GAMBES_log_static_few.lYO63f.cpp:232:37: warning: ‘void PLMD::PlumedMain::DeprecatedAtoms::setCollectEnergy(bool) const’ is deprecated [-Wdeprecated-declarations]
232 | plumed.getAtoms().setCollectEnergy(true);
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~
In file included from GAMBES_log_static_few.lYO63f.cpp:22:
/home/runner/opt/include/plumed_master/core/PlumedMain.h:110:10: note: declared here
110 | void setCollectEnergy(bool b) const;
| ^~~~~~~~~~~~~~~~
GAMBES_log_static_few.lYO63f.cpp: In member function ‘virtual void PLMD::bias::GAMBESL::calculate()’:
GAMBES_log_static_few.lYO63f.cpp:238:36: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getKbT() const’ is deprecated: Use Action::getkBT() N.B. this function also reads the TEMP keyword from the input for you. [-Wdeprecated-declarations]
238 | beta = 1/plumed.getAtoms().getKbT();
| ~~~~~~~~~~~~~~~~~~~~~~~~^~
/home/runner/opt/include/plumed_master/core/PlumedMain.h:104:12: note: declared here
104 | double getKbT() const ;
| ^~~~~~
GAMBES_log_static_few.lYO63f.cpp:239:63: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getKBoltzmann() const’ is deprecated: Use Action::getKBoltzmann(). [-Wdeprecated-declarations]
239 | if(temp>0.0){ beta = 1/(temp*plumed.getAtoms().getKBoltzmann()) ; }
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/home/runner/opt/include/plumed_master/core/PlumedMain.h:102:12: note: declared here
102 | double getKBoltzmann() const ;
| ^~~~~~~~~~~~~
GAMBES_log_static_few.lYO63f.cpp:259:57: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getEnergy() const’ is deprecated [-Wdeprecated-declarations]
259 | if(iter==0){energy_offset= plumed.getAtoms().getEnergy();}
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/home/runner/opt/include/plumed_master/core/PlumedMain.h:112:12: note: declared here
112 | double getEnergy() const ;
| ^~~~~~~~~
GAMBES_log_static_few.lYO63f.cpp:260:44: warning: ‘double PLMD::PlumedMain::DeprecatedAtoms::getEnergy() const’ is deprecated [-Wdeprecated-declarations]
260 | double energy=plumed.getAtoms().getEnergy() - energy_offset;
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/home/runner/opt/include/plumed_master/core/PlumedMain.h:112:12: note: declared here
112 | double getEnergy() const ;
| ^~~~~~~~~
terminate called after throwing an instance of 'PLMD::Plumed::ExceptionError'
what():
(tools/Keywords.cpp:378) void PLMD::Keywords::use(std::string_view)
+++ assertion failed: reserved(k)
the ARG keyword is not reserved
[pkrvmbietmlfzoi:08588] *** Process received signal ***
[pkrvmbietmlfzoi:08588] Signal: Aborted (6)
[pkrvmbietmlfzoi:08588] Signal code: (-6)
[pkrvmbietmlfzoi:08588] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x45330)[0x7f5424845330]
[pkrvmbietmlfzoi:08588] [ 1] /lib/x86_64-linux-gnu/libc.so.6(pthread_kill+0x11c)[0x7f542489eb2c]
[pkrvmbietmlfzoi:08588] [ 2] /lib/x86_64-linux-gnu/libc.so.6(gsignal+0x1e)[0x7f542484527e]
[pkrvmbietmlfzoi:08588] [ 3] /lib/x86_64-linux-gnu/libc.so.6(abort+0xdf)[0x7f54248288ff]
[pkrvmbietmlfzoi:08588] [ 4] /lib/x86_64-linux-gnu/libstdc++.so.6(+0xa5ff5)[0x7f5424ca5ff5]
[pkrvmbietmlfzoi:08588] [ 5] /lib/x86_64-linux-gnu/libstdc++.so.6(+0xbb0da)[0x7f5424cbb0da]
[pkrvmbietmlfzoi:08588] [ 6] /lib/x86_64-linux-gnu/libstdc++.so.6(_ZSt10unexpectedv+0x0)[0x7f5424ca5a55]
[pkrvmbietmlfzoi:08588] [ 7] /lib/x86_64-linux-gnu/libstdc++.so.6(+0xa5a6f)[0x7f5424ca5a6f]
[pkrvmbietmlfzoi:08588] [ 8] plumed_master(+0x146dd)[0x55f3cfd856dd]
[pkrvmbietmlfzoi:08588] [ 9] /lib/x86_64-linux-gnu/libc.so.6(+0x2a1ca)[0x7f542482a1ca]
[pkrvmbietmlfzoi:08588] [10] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x8b)[0x7f542482a28b]
[pkrvmbietmlfzoi:08588] [11] plumed_master(+0x15365)[0x55f3cfd86365]
[pkrvmbietmlfzoi:08588] *** End of error message ***