Dear all,
I am facing a problem when installing AMBER 18 with CUDA on Docker. Both
serial and parallel parts of the code are successfully installed on CPUs. I
tried to install using both CUDA 9.0 and CUDA 10.2, and I got the same
error. I saw the problem posted before, but I could not find the reply.
The gcc version is 7.5.0.
Below are the last lines of the installation process, and the lines of the
file "simulationConst.h".
Please, would anyone have an idea for me to try to solve this problem?
Thank you!
################################################################################
/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_energies_kernels.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
ptxas fatal : Unresolved extern function '_Z13faster_sincosdPdS_'
Makefile:50: recipe for target 'gti_energies_kernels.o' failed
make[5]: *** [gti_energies_kernels.o] Error 255
make[5]: Leaving directory '/amber18/src/pmemd/src/cuda'
Makefile:191: recipe for target 'cuda_spfp_libs' failed
make[4]: *** [cuda_spfp_libs] Error 2
make[4]: Leaving directory '/amber18/src/pmemd/src'
Makefile:75: recipe for target 'cuda_SPFP' failed
make[3]: *** [cuda_SPFP] Error 2
make[3]: Leaving directory '/amber18/src/pmemd/src'
Makefile:29: recipe for target 'cuda_serial' failed
make[2]: *** [cuda_serial] Error 2
make[2]: Leaving directory '/amber18/src/pmemd'
Makefile:50: recipe for target 'cuda_serial' failed
make[1]: *** [cuda_serial] Error 2
make[1]: Leaving directory '/amber18/src'
Makefile:7: recipe for target 'install' failed
make: *** [install] Error 2
###############################################################################
simulationConst.h 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;
#ifdef __CUDACC_RDC__
#define CSIM_STO extern __device__ __constant__
#else
#define CSIM_STO __device__ __constant__
#endif
#endif /* _CUDA_SIMULATION */
#####################################################################
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Received on Wed Nov 25 2020 - 11:30:02 PST
