Dear Jason:
thank you very much for your advices. I've already searched that
threads before I posted, but the problem is still there.
I will try to recompile everything from beginning to see if it goes
well..
thanks again for your comments.
best
Albert
On 04/28/2012 10:24 PM, Jason Swails wrote:
> 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
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Apr 28 2012 - 21:30:02 PDT
