Re: [AMBER] Installation problem on Mac

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 6 Dec 2010 16:08:13 -0500

On Mon, Dec 6, 2010 at 10:44 AM, M. Shahid <mohammad.shahid.gmail.com>wrote:

> Hi,
>
> I have a related problem of compiling pmemd.cuda in snow leopard x84_64:
>

I think the best course of action here is to consider pmemd.cuda and Snow
Leopard incompatible. In any case, it appears as though current generation
Apple desktops aren't even shipping with NVidia cards (only the Macbook
[Pro] line has NVidia GPUs), and Apple hardware is tightly controlled, so
the consumer is completely at the mercy of Apple as to the small selection
of hardware that will be present in any of their machines. Furthermore, the
Mac OS X 10.6 CUDA toolkit is 32-bit, which often clashes with the
mixed-architecture "disaster" that is Snow Leopard. You can force 32-bit
builds with -m32 for the MacPorts GNU compilers, or you can force 64-bit
builds with -m64 for nvcc, but they'll invariably have problems when trying
to link with their own libraries (i.e. libgfortran.dylib or libcufft.dylib).


> serial and parallel installations are successful using configure_openmpi
> (openmpi-1.4.3).
>
> when configured using ./configure -cuda gnu
> and then make cuda
> the compilation stops here:
>
> gcc -O3 -mtune=generic -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ
> -DCUDA -I/usr/local/cuda/include -c gpu.cpp
> In file included from gpu.cpp:23:
> gputypes.h:835: error: ISO C++ forbids declaration of ‘uint’ with no type
>

You can get rid of this error by defining uint as an unsigned integer in
gputypes.h (typedef unsigned int uint;). However, you're just going to get
more errors after you take care of this one.

Good luck,
Jason


> gputypes.h:835: error: expected ‘;’ before ‘*’ token
> gputypes.h:1137: error: ‘uint’ was not declared in this scope
> gputypes.h:1137: error: template argument 1 is invalid
> gpu.cpp: In function ‘void gpu_setup_system_(int*, double*, int*, int*,
> int*, int*)’:
> gpu.cpp:517: error: ‘uint’ was not declared in this scope
> gpu.cpp:517: error: template argument 1 is invalid
> gpu.cpp:578: error: ‘struct cudaSimulation’ has no member named
> ‘pRandomCarry’
> gpu.cpp:578: error: request for member ‘_pDevData’ in ‘*
> gpu->_gpuContext::pbRandomCarry’, which is of non-class type ‘int’
> gpu.cpp: In function ‘void gpu_amrset_(int*)’:
> gpu.cpp:5889: error: request for member ‘_pSysData’ in ‘*
> gpu->_gpuContext::pbRandomCarry’, which is of non-class type ‘int’
> gpu.cpp:5893: error: request for member ‘Upload’ in ‘*
> gpu->_gpuContext::pbRandomCarry’, which is of non-class type ‘int’
>
>
> The cuda sdk examples were compiled with gcc4.2.1 and the deviceQuery
> output
> is as expected.
>
> Any suggestions how to go from here?
>
> Best regards,
>
> --
> Shahid.
>
> On Mon, Dec 6, 2010 at 4:17 PM, George Tzotzos <gtzotzos.me.com> wrote:
>
> > Many thanks to both you and Tim.
> >
> > I'll retry shortly.
> >
> > All the best
> >
> > George
> >
> > On Dec 6, 2010, at 4:06 PM, case wrote:
> >
> > > On Mon, Dec 06, 2010, Timothy J Giese wrote:
> > >> On 12/06/2010 08:28 AM, George Tzotzos wrote:
> > >>>
> > >>> 1. Installed gcc44 from MacPorts
> > >>>
> > >>> 2. Downloaded and installed mpich2 from
> > http://www.mcs.anl.gov/research/projects/mpich2/
> > >
> > > Just to add to Tim's comments, we recommend using the
> "configure_openmpi"
> > > script (in $AMBERHOME/AmberTools/src) if you are having trouble with
> MPI
> > > installation. This is a tested script; doesn't mean it won't fail, but
> > at
> > > least then we will know exactly what you did, and it takes care of all
> > the
> > > environment variables and so on. Just saying that you "installed
> mpich2"
> > > leaves a lot of unknowns.
> > >
> > > ....dac
> > >
> > >
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 06 2010 - 13:30:03 PST
Custom Search