Hi All,
I've recently been trying to install Amber 11 with GPU support on my Ubuntu GPU workstation. I am running Ubuntu 11.1, and security updates ended up forcing me to update the installed CUDA drivers to the most recent from Nvidia (4.x). I've been able to successfully compile the serial and parallel versions of AMBER and complete the execution of the testing scripts (with just a few discrepancies).
However, compilation the CUDA version (running 'make cuda') fails on a gcc command (see below for trace). I am wondering if I have a CUDA version that is not yet supported? Or, if others have an insight as to what might be the issue, I would greatly appreciate any advice. Thanks!
Ram
===============
gcc -O3 -mtune=generic -DSYSV -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DCUDA -I/usr/local/cuda/include -IB40C -IB40C/KernelCommon -c gpu.cpp
In file included from gpu.cpp:27:0:
gputypes.h:1272:33: error: declaration of ‘GpuBuffer<int>* _gpuContext::pbConstraintSoluteID’
gputypes.h:1263:33: error: conflicts with previous declaration ‘GpuBuffer<int>* _gpuContext::pbConstraintSoluteID’
gputypes.h:1273:33: error: declaration of ‘GpuBuffer<double>* _gpuContext::pbConstraintSoluteAtom’
gputypes.h:1264:33: error: conflicts with previous declaration ‘GpuBuffer<double>* _gpuContext::pbConstraintSoluteAtom’
gputypes.h:1274:33: error: declaration of ‘GpuBuffer<double>* _gpuContext::pbConstraintSolute’
gputypes.h:1265:33: error: conflicts with previous declaration ‘GpuBuffer<double>* _gpuContext::pbConstraintSolute’
gputypes.h:1275:33: error: declaration of ‘GpuBuffer<long long unsigned int>* _gpuContext::pbConstraintUllSolute’
gputypes.h:1266:33: error: conflicts with previous declaration ‘GpuBuffer<long long unsigned int>* _gpuContext::pbConstraintUllSolute’
gputypes.h:1276:33: error: declaration of ‘GpuBuffer<int>* _gpuContext::pbConstraintSolventAtoms’
gputypes.h:1267:33: error: conflicts with previous declaration ‘GpuBuffer<int>* _gpuContext::pbConstraintSolventAtoms’
gputypes.h:1277:33: error: declaration of ‘GpuBuffer<double>* _gpuContext::pbConstraintSolventAtom’
gputypes.h:1268:33: error: conflicts with previous declaration ‘GpuBuffer<double>* _gpuContext::pbConstraintSolventAtom’
gputypes.h:1278:33: error: declaration of ‘GpuBuffer<int4>* _gpuContext::pbConstraintSolventConstraint’
gputypes.h:1269:33: error: conflicts with previous declaration ‘GpuBuffer<int4>* _gpuContext::pbConstraintSolventConstraint’
gpu.cpp: In function ‘void gpu_setup_system_(int*, double*, int*, int*, int*, int*, int*)’:
gpu.cpp:445:63: warning: integer overflow in expression
gpu.cpp:463:18: error: ‘struct cudaSimulation’ has no member named ‘randomSeeds’
gpu.cpp:463:47: error: ‘MAX_RANDOM_SEEDS’ was not declared in this scope
gpu.cpp:475:18: error: ‘struct cudaSimulation’ has no member named ‘randomSeeds’
make[3]: *** [gpu.o] Error 1
make[3]: Leaving directory `/home/mettu/amber11/src/pmemd/src/cuda'
make[2]: *** [-L/usr/local/cuda/lib64] Error 2
make[2]: Leaving directory `/home/mettu/amber11/src/pmemd/src'
make[1]: *** [cuda] Error 2
make[1]: Leaving directory `/home/mettu/amber11/src/pmemd'
make: *** [cuda] Error 2
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Received on Thu Feb 23 2012 - 14:30:01 PST
