Re: [AMBER] AMBER 18 cuda installation

From: ChenXingqiang <xingqiang.chen.icloud.com>
Date: Sun, 12 Apr 2020 13:55:56 +0800

Thanks a lot!
I will try that, then give a feedback.

Best wishes,
Xingqiang



> On Apr 12, 2020, at 00:59, Ray Luo <rluo.uci.edu> wrote:
>
> Xingqiang,
>
> How about just upgrading to Amber 19 and cuda 10.2?
>
> All the best,
> Ray
>
> --
> Ray Luo, Ph.D.
> Professor of Structural Biology/Biochemistry/Biophysics,
> Chemical and Materials Physics, Chemical and Biomolecular Engineering,
> Biomedical Engineering, and Materials Science and Engineering
> Department of Molecular Biology and Biochemistry
> University of California, Irvine, CA 92697-3900
>
> On Sat, Apr 11, 2020 at 8:12 AM ChenXingqiang <xingqiang.chen.icloud.com> wrote:
>>
>>
>>
>>> On Apr 11, 2020, at 21:21, ChenXingqiang <xingqiang.chen.icloud.com> wrote:
>>>
>>> Hi!
>>> I meet the same trouble with you.
>>> I want to know if you have overcame it.
>>> thanks!
>>>
>>> /usr/local/cuda-9.2//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/usr/local/cuda-9.2//include -IB40C --std c++11 -c gti_cuda.cusimulationConst.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
>>>
>>> /usr/local/cuda-9.2//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/usr/local/cuda-9.2//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: error: ‘simulationConst cSim’ previously declared here
>>> extern __constant__ simulationConst cSim;
>>> ^
>>> make[5]: *** [gti_global.o] Error 1
>>> make[5]: Leaving directory `/home/sandip/software/amber18/src/pmemd/src/cuda'
>>> make[4]: *** [cuda_spfp_libs] Error 2
>>> make[4]: Leaving directory `/home/sandip/software/amber18/src/pmemd/src'
>>> make[3]: *** [cuda_SPFP] Error 2
>>> make[3]: Leaving directory `/home/sandip/software/amber18/src/pmemd/src'
>>> make[2]: *** [cuda_serial] Error 2
>>> make[2]: Leaving directory `/home/sandip/software/amber18/src/pmemd'
>>> make[1]: *** [cuda_serial] Error 2
>>> make[1]: Leaving directory `/home/sandip/software/amber18/src'
>>> make: *** [install] Error 2
>>>
>>
>> _______________________________________________
>> 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
Received on Sat Apr 11 2020 - 23:00:02 PDT
Custom Search