[AMBER] MPI cuda compilation error

From: Fabrício Bracht <bracht.iq.ufrj.br>
Date: Fri, 1 Jul 2011 21:03:50 -0300

Hello. When trying to compile pmemd.cuda.MPI with Amber11 and
Ambertools 1.5 in ubuntu 10.04, the make command finishes with the
following error.

In file included from gpu.h:15,
                 from kForcesUpdate.cu:14:
gputypes.h:24:17: error: mpi.h: No such file or directory
make[3]: *** [kForcesUpdate.o] Error 1
make[3]: Leaving directory `/home/fabricio/amber11/src/pmemd/src/cuda'
make[2]: *** [-L/usr/local/cuda/lib64] Error 2
make[2]: Leaving directory `/home/fabricio/amber11/src/pmemd/src'
make[1]: *** [cuda_parallel] Error 2
make[1]: Leaving directory `/home/fabricio/amber11/src/pmemd'
make: *** [cuda_parallel] Error 2

The configure command was - ./configure -mpi -cuda -nobintraj -noX11 gnu
And the make command was - ./make cuda_parallel

How can I solve this?
Thank you
Fabrício Bracht

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Received on Fri Jul 01 2011 - 17:30:03 PDT
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