This problem has come up a number of times in the past, so if you search
the archives you'll see threads like this one:
http://archive.ambermd.org/201203/0431.html
Even if those threads don't ultimately solve your problem, they should give
you an idea of what kind of information we need to help you solve your
problem.
HTH,
Jason
On Sat, Apr 28, 2012 at 2:13 PM, Albert <mailmd2011.gmail.com> wrote:
> Hello :
>
> I've compiled cpu series, MPI cpu and single GPU version
> successfully. However, when I try to compile multiple GPU version with
> following command, it failed:
>
>
> ./configure -cuda -mpi gnu
>
> ----------log---------------
> make[4]: Entering directory `/opt/amber12/src/pmemd/src/cuda'
> /usr/local/cuda//bin/nvcc -use_fast_math -O3 -gencode
> arch=compute_13,code=sm_13 -gencode arch=compute_20,code=sm_20 -DCUDA
> -DMPI -DMPICH_IGNORE_CXX_SEEK -I/usr/local/cuda//include -IB40C
> -IB40C/KernelCommon -I/soft/mpich2/include -c kForcesUpdate.cu
> In file included from gpu.h:15:0,
> from kForcesUpdate.cu:14:
> gputypes.h:30:17: fatal error: mpi.h: No such file or directory
> compilation terminated.
> make[4]: *** [kForcesUpdate.o] Error 1
> make[4]: Leaving directory `/opt/amber12/src/pmemd/src/cuda'
> make[3]: *** [-L/usr/local/cuda//lib64] Error 2
> make[3]: Leaving directory `/opt/amber12/src/pmemd/src'
> make[2]: *** [cuda_parallel] Error 2
> make[2]: Leaving directory `/opt/amber12/src/pmemd'
> make[1]: *** [cuda_parallel] Error 2
> make[1]: Leaving directory `/opt/amber12/src'
> make: *** [install] 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 Sat Apr 28 2012 - 13:30:03 PDT
