Hi,
This was my command line:
adam.adam-MS-7750:~/amber11/src$ make cuda_parallel
And this is the error I got (last 30 lines):
make -C ./cuda
make[3]: Entering directory `/home/adam/amber11/src/pmemd/src/cuda'
cpp -traditional -DMPI -P -DBINTRAJ -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC -DPUBFFT -DCUDA -DMPI -DMPICH_IGNORE_CXX_SEEK cuda_info.fpp cuda_info.f90
mpif90 -O3 -mtune=generic -DCUDA -DMPI -DMPICH_IGNORE_CXX_SEEK -I/usr/local/cuda/include -IB40C -IB40C/KernelCommon -I/usr/include -c cuda_info.f90
mpicc -O3 -mtune=generic -DMPICH_IGNORE_CXX_SEEK -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DCUDA -DMPI -DMPICH_IGNORE_CXX_SEEK -I/usr/local/cuda/include -IB40C -IB40C/KernelCommon -I/usr/include -c gpu.cpp
mpicc -O3 -mtune=generic -DMPICH_IGNORE_CXX_SEEK -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DMPI -DCUDA -DMPI -DMPICH_IGNORE_CXX_SEEK -I/usr/local/cuda/include -IB40C -IB40C/KernelCommon -I/usr/include -c gputypes.cpp
/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/usr/include -c kForcesUpdate.cu
In file included from gpu.h:15,
from kForcesUpdate.cu:14:
gputypes.h:30: fatal error: mpi.h: No such file or directory
compilation terminated.
make[3]: *** [kForcesUpdate.o] Error 1
make[3]: Leaving directory `/home/adam/amber11/src/pmemd/src/cuda'
make[2]: *** [-L/usr/local/cuda/lib64] Error 2
make[2]: Leaving directory `/home/adam/amber11/src/pmemd/src'
make[1]: *** [cuda_parallel] Error 2
make[1]: Leaving directory `/home/adam/amber11/src/pmemd'
make: *** [cuda_parallel] Error 2
Very appreciative of your help,
Adam
ps. Amber 11 (Serial + Parallel) + Single GPU works well. So I'm really wondering what's going on...
________________________________
From: Jason Swails <jason.swails.gmail.com>
To: Adam Jion <adamjion.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
Sent: Saturday, March 24, 2012 11:17 PM
Subject: Re: [AMBER] Error Compiling pmemd.cuda.MPI (i.e. Multiple GPUs)
It would help to see more of your error message (i.e. the compile line that failed, so we know what directories were searched for in the include path).
Another option is to set MPI_HOME (such that mpif90 is in $MPI_HOME/bin/mpif90), and re-run configure
(./configure -mpi -cuda [gnu|intel])
This should have been grabbed by default inside configure, but it's possible you have a funky configuration.
HTH,
Jason
P.S., alternatively, if you know where this include file lives, just add that directory to the NVCC compiler flags in config.h and just re-run "make"
On Sat, Mar 24, 2012 at 9:03 AM, Adam Jion <adamjion.yahoo.com> wrote:
Hi!
>
>I have problems compiling pmemd.cuda.MPI. (However, the single gpu version -pmemd.cuda - works)
>The error log is:
>
>In file included from gpu.h:15,
> from kForcesUpdate.cu:14:
>gputypes.h:30: fatal error: mpi.h: No such file or directory
>compilation terminated.
>make[3]: *** [kForcesUpdate.o] Error 1
>make[3]: Leaving directory `/home/adam/amber11/src/pmemd/src/cuda'
>make[2]: *** [-L/usr/local/cuda/lib64] Error 2
>make[2]: Leaving directory `/home/adam/amber11/src/pmemd/src'
>make[1]: *** [cuda_parallel] Error 2
>make[1]: Leaving directory `/home/adam/amber11/src/pmemd'
>make: *** [cuda_parallel] Error 2
>
>
>Any help will be much appreciated,
>Adam
>
>ps. All the bugfixes have been applied. I have managed to combine both serial and parallel versions of Amber11 and AmberTools 1.5 without problems. My compilers are gcc-4.4, g++-4.4, gfortran-4.4.
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>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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Received on Sat Mar 24 2012 - 10:00:03 PDT
