[Openmm-news] OpenMM installation problem

[Jyh-Shyong]

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 at 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 at 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/AndersenThermostatImpl.h:35,
from
/scratch/OpenMMPreview2-Source/src/openmmapi/src/AndersenThermostatImpl.cpp:32:
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:97:
error: âstring?is not a member of âstd?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:97:
error: âstring?is not a member of âstd?
/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: âstring?is not a member of âstd?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/ForceImpl.h:101:
error: âstring?is not a member of âstd?
/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.cpp:32:
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenThermostatImpl.h:60:
error: conflicting return type specified for âvirtual
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 âvirtual int OpenMM::ForceImpl::getDefaultParameters()?
/scratch/OpenMMPreview2-Source/src/openmmapi/include/internal/AndersenThermostatImpl.h:61:
error: conflicting return type specified for âvirtual
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 âvirtual 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