[AMBER] CUDA installation error - CENTOS 7

From: Suguna Sakkiah <ssakkiah.c4therapeutics.com>
Date: Sun, 26 Dec 2021 20:30:16 +0000

Hi All,

I successfully ran the serial test run. Then I changed my run_cmake file (-DCUDA=TRUE). When I try to run the make install after the ./run_cmake it shows the following error

[ 76%] Building NVCC (Device) object AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/pbsa.cuda_generated_cuda_LinearSolvers.cu.o
In file included from /usr/local/cuda/include/thrust/detail/config/config.h:27:0,
                 from /usr/local/cuda/include/thrust/detail/config.h:23,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/detail/config.h:23,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/dia_matrix.h:23,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/cuda_LinearSolvers.cu:18:
/usr/local/cuda/include/thrust/detail/config/cpp_dialect.h:110:13: warning: Thrust requires at least GCC 5.0. Define THRUST_IGNORE_DEPRECATED_CPP_DIALECT to suppress this message. [enabled by default]
      THRUST_COMPILER_DEPRECATION(GCC 5.0);
             ^
/usr/local/cuda/include/thrust/detail/config/cpp_dialect.h:128:13: warning: Thrust requires at least C++14. Define THRUST_IGNORE_DEPRECATED_CPP_DIALECT to suppress this message. [enabled by default]
      THRUST_COMPILER_DEPRECATION(C++14);
             ^
In file included from /usr/include/c++/4.8.2/type_traits:35:0,
                 from /usr/local/cuda/include/thrust/detail/type_traits/pointer_traits.h:25,
                 from /usr/local/cuda/include/thrust/detail/raw_pointer_cast.h:20,
                 from /usr/local/cuda/include/thrust/detail/execute_with_allocator.h:23,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/system/cpp/detail/par.h:21,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/iterator/detail/host_system_tag.h:23,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/iterator/iterator_traits.h:37,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/memory.h:25,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/array1d.h:26,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/dia_matrix.h:25,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/cuda_LinearSolvers.cu:18:
/usr/include/c++/4.8.2/bits/c++0x_warning.h:32:2: error: #error This file requires compiler and library support for the ISO C++ 2011 standard. This support is currently experimental, and must be enabled with the -std=c++11 or -std=gnu++11 compiler options.
#error This file requires compiler and library support for the \
  ^
In file included from /usr/local/cuda/include/cub/util_arch.cuh:36:0,
                 from /usr/local/cuda/include/thrust/system/cuda/detail/util.h:32,
                 from /usr/local/cuda/include/thrust/system/cuda/detail/par.h:32,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/system/cuda/detail/execution_policy.h:29,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/system/cuda/detail/par.h:20,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/iterator/detail/device_system_tag.h:23,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/iterator/iterator_traits.h:38,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/memory.h:25,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/array1d.h:26,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/dia_matrix.h:25,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/cuda_LinearSolvers.cu:18:
/usr/local/cuda/include/cub/util_cpp_dialect.cuh:121:13: warning: CUB requires at least GCC 5.0. Define CUB_IGNORE_DEPRECATED_CPP_DIALECT to suppress this message. [enabled by default]
      CUB_COMPILER_DEPRECATION(GCC 5.0);
             ^
/usr/local/cuda/include/cub/util_cpp_dialect.cuh:139:13: warning: CUB requires at least C++14. Define CUB_IGNORE_DEPRECATED_CPP_DIALECT to suppress this message. [enabled by default]
      CUB_COMPILER_DEPRECATION(C++14);
             ^
In file included from /usr/local/cuda/include/thrust/detail/type_deduction.h:11:0,
                 from /usr/local/cuda/include/thrust/detail/functional/operators/operator_adaptors.h:21,
                 from /usr/local/cuda/include/thrust/detail/functional/operators/assignment_operator.h:22,
                 from /usr/local/cuda/include/thrust/detail/functional/actor.h:32,
                 from /usr/local/cuda/include/thrust/detail/functional/placeholder.h:20,
                 from /usr/local/cuda/include/thrust/functional.h:26,
                 from /usr/local/cuda/include/thrust/system/detail/error_category.inl:22,
                 from /usr/local/cuda/include/thrust/system/error_code.h:520,
                 from /usr/local/cuda/include/thrust/system_error.h:49,
                 from /usr/local/cuda/include/thrust/system/cuda/detail/util.h:34,
                 from /usr/local/cuda/include/thrust/system/cuda/detail/par.h:32,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/system/cuda/detail/execution_policy.h:29,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/system/cuda/detail/par.h:20,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/iterator/detail/device_system_tag.h:23,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/iterator/iterator_traits.h:38,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/memory.h:25,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/array1d.h:26,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/../cusplibrary-cuda9/cusp/dia_matrix.h:25,
                 from /data/Amber/amber20_src/AmberTools/src/pbsa/cuda_LinearSolvers.cu:18:
/usr/local/cuda/include/thrust/detail/cpp11_required.h:23:6: error: #error C++11 is required for this Thrust feature; please upgrade your compiler or pass the appropriate -std=c++XX flag to it.
# error C++11 is required for this Thrust feature; please upgrade your compiler or pass the appropriate -std=c++XX flag to it.
      ^
CMake Error at pbsa.cuda_generated_cuda_LinearSolvers.cu.o.RELEASE.cmake:220 (message):
  Error generating
  /data/Amber/amber20_src/build/AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir//./pbsa.cuda_generated_cuda_LinearSolvers.cu.o


make[2]: *** [AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/pbsa.cuda_generated_cuda_LinearSolvers.cu.o] Error 1
make[1]: *** [AmberTools/src/pbsa/CMakeFiles/pbsa.cuda.dir/all] Error 2
make: *** [all] Error 2

Regards
Suguna
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Received on Sun Dec 26 2021 - 13:00:02 PST
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