Re: [AMBER] Issue installing Amber18 pbsa.cuda

From: David A Case <david.case.rutgers.edu>
Date: Mon, 24 Jun 2019 08:18:14 -0400

On Mon, Jun 24, 2019, Mahesh kumar Teli wrote:
>
>
>tmpxft_000047e9_00000000-4_cuda_cg_wrapper.compute_61.cudafe1.cpp:(.text._ZN6thrust6system6detail9bad_allocC2ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE[_ZN6thrust6system6detail9bad_allocC5ERKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE]+0x73):
>undefined reference to `std::__cxx11::basic_string<char,
>std::char_traits<char>, std::allocator<char> >::_M_append(char const*,
>unsigned long)'

....

We've had other (sporadic) reports of problems with pbsa.cuda. Can
you tell us which version of gcc you are using ("gcc --version")?

If you don't need to use the cuda-accelerated version of pbsa, the
workaround is this: edit the $AMBERHOME/AmberTools/src/Makefile, finding
these lines:

cuda_serial: math_libraries
    (cd pbsa && $(MAKE) clean && $(MAKE) -j1 install )

Delete or comment out the second line.

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Received on Mon Jun 24 2019 - 05:30:05 PDT
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