[AMBER] multiple GPU compile failed for Amber12

From: Albert <mailmd2011.gmail.com>
Date: Sat, 28 Apr 2012 20:13:44 +0200

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

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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Received on Sat Apr 28 2012 - 11:30:04 PDT
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