Hi Ram,
Can you confirm that you are using a fully patched copy of AMBER 11 please.
Up to and including bugfix.20.
http://ambermd.org/bugfixes11.html
Also can you please run:
gcc -v
and
nvcc -V
All the best
Ross
> -----Original Message-----
> From: Mettu, Ramgopal [mailto:rmettu.tulane.edu]
> Sent: Thursday, February 23, 2012 2:10 PM
> To: amber.ambermd.org
> Subject: [AMBER] CUDA version for Amber 11?
>
> 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 - 16:00:02 PST
