Re: [AMBER] Amber18, tools19, cuda 10.2

From: Christopher Benjamin Coffey <Chris.Coffey.nau.edu>
Date: Thu, 23 Apr 2020 15:13:06 +0000

Whoops, sorry forgot to include the error! See below - thanks!

/packages/cuda/10.2/include/cuda_runtime_api.h:931:57: note: declared here
 extern __CUDA_DEPRECATED __host__ cudaError_t CUDARTAPI cudaThreadExit(void);
                                                         ^~~~~~~~~~~~~~
/packages/cuda/10.2/bin/nvcc -gencode arch=compute_30,code=sm_30 -gencode arch=compute_35,code=sm_35 -gencode arch=compute_37,code=sm_37 -gencode arch=compute_50,code=sm_50 -gencode arch=compute_52,code=sm_52 -gencode arch=compute_53,code=sm_53 -gencode arch=compute_60,code=sm_60 -gencode arch=compute_61,code=sm_61 -gencode arch=compute_60,code=sm_70, -gencode arch=compute_61,code=sm_70 -Wno-deprecated-declarations -use_fast_math -O3 -Duse_SPFP -DCUDA -DGTI -I/packages/cuda/10.2/include -IB40C --std c++11 -c gti_cuda.cu
simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

simulationConst.h(12): warning: extern declaration of the entity cSim is treated as a static definition

/packages/cuda/10.2/bin/nvcc -gencode arch=compute_30,code=sm_30 -gencode arch=compute_35,code=sm_35 -gencode arch=compute_37,code=sm_37 -gencode arch=compute_50,code=sm_50 -gencode arch=compute_52,code=sm_52 -gencode arch=compute_53,code=sm_53 -gencode arch=compute_60,code=sm_60 -gencode arch=compute_61,code=sm_61 -gencode arch=compute_60,code=sm_70, -gencode arch=compute_61,code=sm_70 -Wno-deprecated-declarations -use_fast_math -O3 -Duse_SPFP -DCUDA -DGTI -I/packages/cuda/10.2/include -IB40C --std c++11 -c gti_global.cu
gti_global.cu:7:24: error: redefinition of ‘simulationConst cSim’
 __constant__ simulationConst cSim;
                        ^~~~
simulationConst.h:12:24: note: ‘simulationConst cSim’ previously declared here
 extern __constant__ simulationConst cSim;
                        ^~~~
make[5]: *** [gti_global.o] Error 1
make[5]: Leaving directory `/packages/amber/amber19-gcc-6.2.0-440.33/src/pmemd/src/cuda'
make[4]: *** [cuda_spfp_libs] Error 2
make[4]: Leaving directory `/packages/amber/amber19-gcc-6.2.0-440.33/src/pmemd/src'
make[3]: *** [cuda_SPFP] Error 2
make[3]: Leaving directory `/packages/amber/amber19-gcc-6.2.0-440.33/src/pmemd/src'
make[2]: *** [cuda_serial] Error 2
make[2]: Leaving directory `/packages/amber/amber19-gcc-6.2.0-440.33/src/pmemd'
make[1]: *** [cuda_serial] Error 2
make[1]: Leaving directory `/packages/amber/amber19-gcc-6.2.0-440.33/src'
make: *** [install] Error 2

Best,
Chris
 
--
Christopher Coffey
High-Performance Computing
Northern Arizona University
928-523-1167
 
 

On 4/23/20, 5:50 AM, "David A Case" <david.case.rutgers.edu> wrote:

    On Wed, Apr 22, 2020, Christopher Benjamin Coffey wrote:
>
>I'm trying to build the gpu binaries for amber18, tools 19 with
>cuda 10.2. I get the error below.

    I don't see any error message in your post. But it does look like a
    conflict if GTI is defined (but I'm no C++ expert). cc-ing to some GPU
    gurus, in case they missed this post.

    ...thanks for the report...dac


      Seems there is a conflict between
>simulationConst.h, and gti_global.cu. Can someone assist please? Thank
>you!
>
>---- simulationConst.h
>#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 */
>-----
>
>
>---- gti_global.h
>#include "copyright.i"
>
>//Place to hold globally accessible variables
>
>
>#include "simulationConst.h"
>__constant__ simulationConst cSim;
>----
>
>Best,
>Chris
>
>--
>Christopher Coffey
>High-Performance Computing
>Northern Arizona University
>928-523-1167
>
>
>
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    --

    ====================================================================
    David A. Case | david.case.rutgers.edu
    Dept. of Chemistry & Chemical Biology |
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Received on Thu Apr 23 2020 - 08:30:02 PDT
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