Re: [AMBER] AMBER 18 cuda installation

From: Ray Luo <rluo.uci.edu>
Date: Sat, 11 Apr 2020 09:59:12 -0700

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
Received on Sat Apr 11 2020 - 10:00:02 PDT
Custom Search