Re: [AMBER] AMBER 18 cuda installation: error: redefinition of ???simulationConst cSim???

From: David Cerutti <dscerutti.gmail.com>
Date: Sat, 4 Apr 2020 23:54:23 -0400

If you have the line "__constant__ simulationConst cSim;" uncommented, that
probably means you are working outside the default GTI branch. The
nomenclature around this is pretty tricky, and involves a lot of aliasing
to switch between the new code paths (Amber18, which brings more C++
functionality into the layer between the original Fortran and the CUDA
kernels) and the old code paths (Amber16). Not sure what to tell you,
other than perhaps download the source anew and try re-installing.

Dave



On Sat, Apr 4, 2020 at 9:10 PM Scott Brozell <sbrozell.iqb.rutgers.edu>
wrote:

> Hi,
>
> FWIW, i am able to build with
> gcc version 4.8.5 (GCC)
> Cuda compilation tools, release 9.0, V9.0.176
> but i am not using the canonical Amber18. And the one i have
> has that line commented out in simulationConst.h, ie:
> //__constant__ simulationConst cSim;
>
>
> If you have further issues then send verbose and verbatim details
> including:
> ./update_amber --show-applied-patches
> nvcc -V
> gcc -v
>
> scott
>
> On Thu, Apr 02, 2020 at 10:58:23AM -0700, Sapna Shedge wrote:
> > I am trying to do amber18 installation with Cuda-9.0
> >
> > I am getting following error
> >
> > *gti_global.cu:7:24:* *error: *redefinition of ???*simulationConst
> cSim*???
> >
> > __constant__ simulationConst cSim;
> >
> > * ^*
> >
> > *simulationConst.h:12:24:* *error: *???*simulationConst cSim*???
> previously
> > declared here
> >
> > extern __constant__ simulationConst cSim;
> >
> > * ^*
> >
> > make[5]: *** [gti_global.o] Error 1
> >
> > make[5]: *** Waiting for unfinished jobs....
> >
> >
> > I saw that one person also got the same error and he was asked to provide
> > content of simulationConst.h file. Here is content of this file
> >
> >
> > ifndef _CUDA_SIMULATION
> >
> > #define _CUDA_SIMULATION
> >
> >
> > #include "base_simulationConst.h"
> >
> > #ifdef GTI
> >
> > #include "gti_simulationConst.h"
> >
> > typedef gti_simulationConst simulationConst;
> >
> > #else
> >
> > typedef base_simulationConst simulationConst;
> >
> > #endif
> >
> >
> > extern __constant__ simulationConst cSim;
> >
> >
> > #endif /* _CUDA_SIMULATION */
>
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Received on Sat Apr 04 2020 - 21:00:01 PDT
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