[AMBER] Error Compiling pmemd.cuda.MPI (i.e. Multiple GPUs)

From: Adam Jion <adamjion.yahoo.com>
Date: Sat, 24 Mar 2012 06:03:58 -0700 (PDT)


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,

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.
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Received on Sat Mar 24 2012 - 06:30:03 PDT
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