Re: [AMBER] Problem with "make install" after "./configure -mpi -cuda gnu"

From: David A Case <>
Date: Fri, 5 Oct 2012 08:13:04 -0400

On Fri, Oct 05, 2012, Tru Huynh wrote:
> >
> > I can try to switch environments over to GNU, but it may take me a little
> > bit to do so.
> It's a openmpi "feature" :)
> I had to manually add to PMEMD_CU_LIBS in config.h the -lmpi_cxx flag:

I'll just here quote a little from the Amber GPU page:

   We recommend using MVAPICH2, or MPICH2. OpenMPI tends to give poor
   performance and may not support all MPI v2.0 features.


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Received on Fri Oct 05 2012 - 05:30:05 PDT
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