[gmx-users] CUDA5.5 and ICC 14

[Theodore Si]

Thanks!

On 8/20/2014 8:03 PM, Mark Abraham wrote:
> Hi,
>
> Per Nvidia's docs and that error, CUDA 5.5 is only supported with that icc
> version. In practice, I understand that other icc versions work fine with
> GROMACS, but you would need to go and comment out that #error message.
> Alternatively, CUDA 6.5 supports icc 14.0 (only).
>
> Mark
>
>
> On Wed, Aug 20, 2014 at 8:26 AM, Theodore Si <sjyzhxw at gmail.com> wrote:
>
>> Hi,
>>
>> I am using CUDA 5.5 and Intel ICC 14.0.1 to compile GROMACS and this
>> happened:
>>
>> [  0%] Building NVCC (Device) object src/gromacs/gmxlib/gpu_utils/
>> CMakeFiles/gpu_utils.dir//./gpu_utils_generated_gpu_utils.cu.o
>> In file included from /usr/local/cuda-5.5/include/cuda_runtime.h(59),
>>                   from /home/theo/gromacs-5.0/src/gromacs/gmxlib/gpu_utils/
>> gpu_utils.cu(0):
>> /usr/local/cuda-5.5/include/host_config.h(72): catastrophic error: #error
>> directive: -- unsupported ICC configuration! Only ICC 12.1 on Linux x86_64
>> is supported!
>>    #error -- unsupported ICC configuration! Only ICC 12.1 on Linux x86_64
>> is supported!
>>     ^
>>
>> CMake Error at gpu_utils_generated_gpu_utils.cu.o.cmake:198 (message):
>>    Error generating
>> /home/theo/gromacs-5.0/build/src/gromacs/gmxlib/gpu_utils/
>> CMakeFiles/gpu_utils.dir//./gpu_utils_generated_gpu_utils.cu.o
>>
>>
>> make[2]: *** [src/gromacs/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/./
>> gpu_utils_generated_gpu_utils.cu.o] Error 1
>> make[1]: *** [src/gromacs/gmxlib/gpu_utils/CMakeFiles/gpu_utils.dir/all]
>> Error 2
>> make: *** [all] Error 2
>>
>> Does this mean that I cannot make them work together?
>>
>> BR,
>> Theo
>> --
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