OPENMM installation problem
Posted: Mon Feb 23, 2009 6:09 pm
Hi,
I just downloaded OpenMM source and tried to installed it on our
computer running Open OpenSuSE 11.0,
but failed due to some unknown error. The computer has NVIDIA C1060 and
Cuda driver and toolkit installed
(both are the latest version).
Here is the installation log:
chem@gch:/scratch/OpenMMPreview2-Source/src> cmake
/scratch/OpenMMPreview2-Source/src
-- Looking for doxygen...
-- Looking for doxygen... - found /usr/bin/doxygen
-- Looking for dot tool...
-- Looking for dot tool... - found /usr/bin/dot
-- Configuring done
-- Generating done
-- Build files have been written to: /scratch/OpenMMPreview2-Source/src
chem@gch:/scratch/OpenMMPreview2-Source/src> make
Scanning dependencies of target OpenMM_d
[ 0%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/OpenMMContextImpl.cpp.o
[ 0%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/RBTorsionForceImpl.cpp.o
[ 0%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/NonbondedForceImpl.cpp.o
[ 1%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/RBTorsionForce.cpp.o
[ 1%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/HarmonicAngleForceImpl.cpp.o
[ 1%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/PeriodicTorsionForceImpl.cpp.o
[ 2%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/OpenMMContext.cpp.o
[ 2%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/PeriodicTorsionForce.cpp.o
[ 2%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/BrownianIntegrator.cpp.o
[ 3%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/AndersenThermostatImpl.cpp.o
In file included from
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenTher
mostatImpl.h:35,
from
/scratch/OpenMMPreview2-Source/src/openmmapi/src/AndersenThermostatImpl.cp
p:32:
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: template argument 1 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: template argument 3 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: template argument 4 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: template argument 1 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: template argument 2 is invalid
In file included from
/scratch/OpenMMPreview2-Source/src/openmmapi/src/AndersenThermostatImpl.cp
p:32:
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenTher
mostatImpl.h:60:
error: conflicting return type specified for 潎irtual
std::map<std::basic_string<char, std::char_traits<char>,
std::allocator<char> >, double, std::less<std::basic_string<char,
std::char_traits<char>, std::allocator<char> > >,
std::allocator<std::pair<const std::basic_string<char,
std::char_traits<char>, std::allocator<char> >, double> > >
OpenMM::AndersenThermostatImpl::getDefaultParameters()?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: overriding 潎irtual int OpenMM::ForceImpl::getDefaultParameters()?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenTher
mostatImpl.h:61:
error: conflicting return type specified for 潎irtual
std::vector<std::basic_string<char, std::char_traits<char>,
std::allocator<char> >, std::allocator<std::basic_string<char,
std::char_traits<char>, std::allocator<char> > > >
OpenMM::AndersenThermostatImpl::getKernelNames()?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: overriding 潎irtual int OpenMM::ForceImpl::getKernelNames()?
make[2]: ***
[CMakeFiles/OpenMM_d.dir/openmmapi/src/AndersenThermostatImpl.cpp.o] Error
1
make[1]: *** [CMakeFiles/OpenMM_d.dir/all] Error 2
make: *** [all] Error 2
The installation failed due to some errors, perhaps I have missed some
step? Any suggestion is welcome and
appreciated.
Jyh-Shyong Ho, Ph.D.
Research Scientist
National Center for High Performance Computing
Hsinchu, Taiwan, ROC
I just downloaded OpenMM source and tried to installed it on our
computer running Open OpenSuSE 11.0,
but failed due to some unknown error. The computer has NVIDIA C1060 and
Cuda driver and toolkit installed
(both are the latest version).
Here is the installation log:
chem@gch:/scratch/OpenMMPreview2-Source/src> cmake
/scratch/OpenMMPreview2-Source/src
-- Looking for doxygen...
-- Looking for doxygen... - found /usr/bin/doxygen
-- Looking for dot tool...
-- Looking for dot tool... - found /usr/bin/dot
-- Configuring done
-- Generating done
-- Build files have been written to: /scratch/OpenMMPreview2-Source/src
chem@gch:/scratch/OpenMMPreview2-Source/src> make
Scanning dependencies of target OpenMM_d
[ 0%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/OpenMMContextImpl.cpp.o
[ 0%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/RBTorsionForceImpl.cpp.o
[ 0%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/NonbondedForceImpl.cpp.o
[ 1%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/RBTorsionForce.cpp.o
[ 1%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/HarmonicAngleForceImpl.cpp.o
[ 1%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/PeriodicTorsionForceImpl.cpp.o
[ 2%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/OpenMMContext.cpp.o
[ 2%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/PeriodicTorsionForce.cpp.o
[ 2%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/BrownianIntegrator.cpp.o
[ 3%] Building CXX object
CMakeFiles/OpenMM_d.dir/openmmapi/src/AndersenThermostatImpl.cpp.o
In file included from
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenTher
mostatImpl.h:35,
from
/scratch/OpenMMPreview2-Source/src/openmmapi/src/AndersenThermostatImpl.cp
p:32:
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: template argument 1 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: template argument 3 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: template argument 4 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: 滻tring?is not a member of 滻td?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: template argument 1 is invalid
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: template argument 2 is invalid
In file included from
/scratch/OpenMMPreview2-Source/src/openmmapi/src/AndersenThermostatImpl.cp
p:32:
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenTher
mostatImpl.h:60:
error: conflicting return type specified for 潎irtual
std::map<std::basic_string<char, std::char_traits<char>,
std::allocator<char> >, double, std::less<std::basic_string<char,
std::char_traits<char>, std::allocator<char> > >,
std::allocator<std::pair<const std::basic_string<char,
std::char_traits<char>, std::allocator<char> >, double> > >
OpenMM::AndersenThermostatImpl::getDefaultParameters()?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
97:
error: overriding 潎irtual int OpenMM::ForceImpl::getDefaultParameters()?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenTher
mostatImpl.h:61:
error: conflicting return type specified for 潎irtual
std::vector<std::basic_string<char, std::char_traits<char>,
std::allocator<char> >, std::allocator<std::basic_string<char,
std::char_traits<char>, std::allocator<char> > > >
OpenMM::AndersenThermostatImpl::getKernelNames()?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:
101:
error: overriding 潎irtual int OpenMM::ForceImpl::getKernelNames()?
make[2]: ***
[CMakeFiles/OpenMM_d.dir/openmmapi/src/AndersenThermostatImpl.cpp.o] Error
1
make[1]: *** [CMakeFiles/OpenMM_d.dir/all] Error 2
make: *** [all] Error 2
The installation failed due to some errors, perhaps I have missed some
step? Any suggestion is welcome and
appreciated.
Jyh-Shyong Ho, Ph.D.
Research Scientist
National Center for High Performance Computing
Hsinchu, Taiwan, ROC