Thanks Jason
i tried also the 3.2 version, but i doesn't work :(.
jacopo
2011/3/25 Jacopo Sgrignani <sgrigna.gmail.com>:
> Thanks Jason
> i tried also the 3.2 version, but i doesn't work :(.
>
> jacopo
>
> 2011/3/25 Jason Swails <jason.swails.gmail.com>:
>> 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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>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>
>>
>>
>> --
>> Jason M. Swails
>> Quantum Theory Project,
>> University of Florida
>> Ph.D. Candidate
>> 352-392-4032
>> _______________________________________________
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
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Received on Fri Mar 25 2011 - 08:30:07 PDT
