By the "latest cuda toolkit" I assume you mean the 4.0 release candidate? I
would suggest rolling back to 3.2 if you can't get it to build with 4.0.
Good luck,
Jason
On Fri, Mar 25, 2011 at 1:47 AM, Jacopo Sgrignani <sgrigna.sissa.it> wrote:
> Dear all
> I'm trying to compile pmemd.cuda using intel compilers and the last
> cudatoolkit, but the compilation stop whit an error i can not
> understand.
> Below there are the last lines of my output.
>
> Can you help me?
>
>
> Thanks
>
> Jacopo
>
> FFTLOADBAL_2PROC -DPUBFFT -DCUDA cuda_info.fpp cuda_info.f90
> ifort -ip -O3 -axSTPW -DCUDA -I/scratch/sgrigna/cuda/cuda/include
> -IB40C -IB40C/KernelCommon -c cuda_info.f90
> icc -ip -O3 -axSTPW -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
> -DBINTRAJ -DCUDA -I/scratch/sgrigna/cuda/cuda/include -IB40C
> -IB40C/KernelCommon -c gpu.cpp
> gputypes.h(1145): error: "pbConstraintSoluteID" has already been
> declared in the current scope
> GpuBuffer<int>* pbConstraintSoluteID;
> // Physical constraint and molecule ID
> ^
>
> gputypes.h(1146): error: "pbConstraintSoluteAtom" has already been
> declared in the current scope
> GpuBuffer<PMEDouble>* pbConstraintSoluteAtom;
> // Solute constraint atom positions and masses
> ^
>
> gputypes.h(1147): error: "pbConstraintSolute" has already been
> declared in the current scope
> GpuBuffer<PMEDouble>* pbConstraintSolute;
> // Current and last centers of mass and inverse mass for each solute
> constraint molecule
> ^
>
> gputypes.h(1148): error: "pbConstraintUllSolute" has already been
> declared in the current scope
> GpuBuffer<PMEUllInt>* pbConstraintUllSolute;
> // Current COM and in integer form
> ^
>
> gputypes.h(1149): error: "pbConstraintSolventAtoms" has already been
> declared in the current scope
> GpuBuffer<int>* pbConstraintSolventAtoms;
> // Number of atoms in each solvent constraint
> ^
>
> gputypes.h(1150): error: "pbConstraintSolventAtom" has already been
> declared in the current scope
> GpuBuffer<PMEDouble>* pbConstraintSolventAtom;
> // Solvent constraint atom positions and masses, total inverse mass,
> and COM
> ^
>
> gputypes.h(1151): error: "pbConstraintSolventConstraint" has already
> been declared in the current scope
> GpuBuffer<int4>* pbConstraintSolventConstraint;
> // List of solvent constraint constraint IDs
> ^
>
> gputypes.h(1154): error: "pbConstraintSoluteID" has already been
> declared in the current scope
> GpuBuffer<int>* pbConstraintSoluteID;
> // Physical constraint and molecule ID
> ^
>
> gputypes.h(1155): error: "pbConstraintSoluteAtom" has already been
> declared in the current scope
> GpuBuffer<PMEDouble>* pbConstraintSoluteAtom;
> // Solute constraint atom positions and masses
> ^
>
> gputypes.h(1156): error: "pbConstraintSolute" has already been
> declared in the current scope
> GpuBuffer<PMEDouble>* pbConstraintSolute;
> // Current and last centers of mass and inverse mass for each solute
> constraint molecule
> ^
>
> gputypes.h(1157): error: "pbConstraintUllSolute" has already been
> declared in the current scope
> GpuBuffer<PMEUllInt>* pbConstraintUllSolute;
> // Current COM and in integer form
> ^
>
> gputypes.h(1158): error: "pbConstraintSolventAtoms" has already been
> declared in the current scope
> GpuBuffer<int>* pbConstraintSolventAtoms;
> // Number of atoms in each solvent constraint
> ^
>
> gputypes.h(1159): error: "pbConstraintSolventAtom" has already been
> declared in the current scope
> GpuBuffer<PMEDouble>* pbConstraintSolventAtom;
> // Solvent constraint atom positions and masses, total inverse mass,
> and COM
> ^
>
> gputypes.h(1160): error: "pbConstraintSolventConstraint" has already
> been declared in the current scope
> GpuBuffer<int4>* pbConstraintSolventConstraint;
> // List of solvent constraint constraint IDs
> ^
>
> compilation aborted for gpu.cpp (code 2)
> make[3]: *** [gpu.o] Error 2
> make[3]: Leaving directory `/scratch/sgrigna/amber11/src/pmemd/src/cuda'
> make[2]: *** [-L/scratch/sgrigna/cuda/cuda/lib64] Error 2
> make[2]: Leaving directory `/scratch/sgrigna/amber11/src/pmemd/src'
> make[1]: *** [cuda] Error 2
> make[1]: Leaving directory `/scratch/sgrigna/amber11/src/pmemd'
> make: *** [cuda] Error 2
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Mar 25 2011 - 08:30:04 PDT
