[AMBER] facing problem in installation of Amber18 with CUDA support

From: SATYAJIT KHATUA <satyajitkhatua09.gmail.com>
Date: Wed, 19 Feb 2020 19:42:21 +0530

Dear Users/Developers,
                                      Recently I have tried to install
Amber18 along wih AmberTools19 in our lab PCs as well as in our lab
servers. Though, Amber18 was installed in our PCs with no sign of error,
during installation in our lab servers with CUDA support, it showed
following error messages:

/usr/local/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/usr/local/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

/usr/local/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/usr/local/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]: *** [Makefile:50: gti_global.o] Error 1
make[5]: Leaving directory '/home/srabani/amber18/src/pmemd/src/cuda'
make[4]: *** [Makefile:191: cuda_spfp_libs] Error 2
make[4]: Leaving directory '/home/srabani/amber18/src/pmemd/src'
make[3]: *** [Makefile:76: cuda_SPFP] Error 2
make[3]: Leaving directory '/home/srabani/amber18/src/pmemd/src'
make[2]: *** [Makefile:29: cuda_serial] Error 2
make[2]: Leaving directory '/home/srabani/amber18/src/pmemd'
make[1]: *** [Makefile:51: cuda_serial] Error 2
make[1]: Leaving directory '/home/srabani/amber18/src'
make: *** [Makefile:8: install] Error 2

Any help in this regard will be highly appreciated.

thanks and regards,
Satyajit Khatua
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Received on Wed Feb 19 2020 - 06:30:04 PST
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