[AMBER] Installing amber with CUDA as local user on supercomputer

From: Francesca Lønstad Bleken <francesca.l.bleken.sintef.no>
Date: Thu, 13 Jun 2019 11:55:30 +0000

Hi,

I am trying to install amber18 (with ambertools19) with CUDA as local user on a supercomputer with intel compiler.
Both the serial and parallel version work.

When I try to install the CUDA version, however I run into the following problem:

/global/hds/software/cpu/eb3/CUDA/7.5.18/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 -use_fast_math -O3 -ccbin icpc -I../cusplibrary-cuda9 -o cuda_LinearSolvers.o -c cuda_LinearSolvers.cu
cuda_LinearSolvers.cu(193): error: class "cudaDeviceProp" has no member "concurrentManagedAccess"

I have CUDA/7.5.18 which is installed globally.

I have been googling, but did not find anything that I understand. If someone could point me in the right direction I would be grateful.

------------------------End of output-----------------
[PBSA] FC rdpqr.F90
cd ../lib && make nxtsec.o random.o
make[3]: Entering directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/lib'
[LIB] FC nxtsec.F
[LIB] FC random.F90
make[3]: Leaving directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/lib'
cd ../lapack && make install
make[3]: Entering directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/lapack'
make[3]: Nothing to be done for `install'.
make[3]: Leaving directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/lapack'
cd ../blas && make install
make[3]: Entering directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/blas'
make[3]: Nothing to be done for `install'.
make[3]: Leaving directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/blas'
cd ../arpack && make install
make[3]: Entering directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/arpack'
make[3]: Nothing to be done for `install'.
make[3]: Leaving directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/arpack'
/global/hds/software/cpu/eb3/CUDA/7.5.18/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 -use_fast_math -O3 -ccbin icpc -o cuda_pb.o -c cuda_pb.cu
/global/hds/software/cpu/eb3/CUDA/7.5.18/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 -use_fast_math -O3 -ccbin icpc -o kLinearSolvers.o -c kLinearSolvers.cu
/global/hds/software/cpu/eb3/CUDA/7.5.18/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 -use_fast_math -O3 -ccbin icpc -I../cusplibrary-cuda9 -o cuda_LinearSolvers.o -c cuda_LinearSolvers.cu
cuda_LinearSolvers.cu(193): error: class "cudaDeviceProp" has no member "concurrentManagedAccess"

cuda_LinearSolvers.cu(194): error: identifier "cudaMemPrefetchAsync" is undefined

cuda_LinearSolvers.cu(248): error: class "cudaDeviceProp" has no member "concurrentManagedAccess"

cuda_LinearSolvers.cu(250): error: identifier "cudaMemPrefetchAsync" is undefined

cuda_LinearSolvers.cu(301): error: class "cudaDeviceProp" has no member "concurrentManagedAccess"

cuda_LinearSolvers.cu(302): error: identifier "cudaMemPrefetchAsync" is undefined

6 errors detected in the compilation of "/tmp/tmpxft_000082cd_00000000-22_cuda_LinearSolvers.compute_53.cpp1.ii".
make[2]: *** [cuda_LinearSolvers.o] Error 2
make[2]: Leaving directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src/pbsa'
make[1]: *** [cuda_serial] Error 2
make[1]: Leaving directory `/home/francesb/60-programs/amber18_gpu/amber18/AmberTools/src'
make: *** [install] Error 2


. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Francesca L. Bleken, Ph.D.
Research Scientist
Process Chemistry and Functional Materials, SINTEF Industry

Norway
Mobile: (+47) 95 20 79 71
www.sintef.no<http://www.sintef.no/>
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

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Received on Thu Jun 13 2019 - 05:00:02 PDT
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