Have you tried this with AmberTools 1.4? If not can you try that please and let me know if it works?
I suspect someone broke the configure script in AmberTools 1.5 and did not test it properly for complete builds of AMBER.
I still use AmberTools1.4 and have never seen this problem.
All the best
Ross
On Jul 2, 2011, at 10:46, filip fratev <filipfratev.yahoo.com> wrote:
> Hi Fabrício,
>
> I always had the same error during the compilation of Cuda.MPI, but I never saw similar topic here. I defined MPI_HOME, but this not helps.. something in the paths is still wrong. Probably Ross will give us some permanent solution.
> Just copy and paste the corresponding missing files (mpi.h and so on) from your MPI installation to the installation Amber cuda folder :)
> Not nice but work:)
>
> All the best,
> Filip
>
>
>
> --- On Sat, 7/2/11, Fabrício Bracht <bracht.iq.ufrj.br> wrote:
>
>> From: Fabrício Bracht <bracht.iq.ufrj.br>
>> Subject: [AMBER] MPI cuda compilation error
>> To: "AMBER Mailing List" <AMBER.ambermd.org>
>> Date: Saturday, July 2, 2011, 3:03 AM
>> Hello. When trying to compile
>> pmemd.cuda.MPI with Amber11 and
>> Ambertools 1.5 in ubuntu 10.04, the make command finishes
>> with the
>> following error.
>>
>> In file included from gpu.h:15,
>>
>> from kForcesUpdate.cu:14:
>> gputypes.h:24:17: error: mpi.h: No such file or directory
>> make[3]: *** [kForcesUpdate.o] Error 1
>> make[3]: Leaving directory
>> `/home/fabricio/amber11/src/pmemd/src/cuda'
>> make[2]: *** [-L/usr/local/cuda/lib64] Error 2
>> make[2]: Leaving directory
>> `/home/fabricio/amber11/src/pmemd/src'
>> make[1]: *** [cuda_parallel] Error 2
>> make[1]: Leaving directory
>> `/home/fabricio/amber11/src/pmemd'
>> make: *** [cuda_parallel] Error 2
>>
>> The configure command was - ./configure -mpi -cuda
>> -nobintraj -noX11 gnu
>> And the make command was - ./make cuda_parallel
>>
>> How can I solve this?
>> Thank you
>> Fabrício Bracht
>>
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>>
>
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Received on Sat Jul 02 2011 - 03:30:03 PDT
