[gmx-users] Gromacs 5.0 compiles only with intel 13.1?

[David Dotson]

This is during the make step; below is the full output:

    [  0%] Building NVCC (Device) object
    src/gromacs/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_pmalloc_cuda.cu.o
    In file included from
    /nfs/packages/opt/Linux_x86_64/cudatoolkit/6.0.37/Ubuntu12.04/include/cuda_runtime.h(59),
                      from
    /nfs/homes2/dldotson/Sysadmin/install/gromacs/source/gromacs-5.0/src/gromacs/gmxlib/cuda_tools/pmalloc_cuda.cu(0):
    /nfs/packages/opt/Linux_x86_64/cudatoolkit/6.0.37/Ubuntu12.04/include/host_config.h(72):
    catastrophic error: #error directive: -- unsupported ICC
    configuration! Only ICC 13.1 on Linux x86_64 is supported!
       #error -- unsupported ICC configuration! Only ICC 13.1 on Linux
    x86_64 is supported!
        ^

    CMake Error at cuda_tools_generated_pmalloc_cuda.cu.o.cmake:206
    (message):
       Error generating
    /nfs/homes2/dldotson/Sysadmin/install/gromacs/build/gromacs-5.0/intel14.0/avx/src/gromacs/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir//./cuda_tools_generated_pmalloc_cuda.cu.o


    make[2]: ***
    [src/gromacs/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/./cuda_tools_generated_pmalloc_cuda.cu.o]
    Error 1
    make[1]: ***
    [src/gromacs/gmxlib/cuda_tools/CMakeFiles/cuda_tools.dir/all] Error 2
    make: *** [all] Error 2

David


On 07/30/2014 11:32 AM, David van der Spoel wrote:
> On 2014-07-30 19:22, David Dotson wrote:
>> Good morning,
>>
>> I am trying to compile gromacs 5.0 using the intel 14.0 compiler, but I
>> receive the following error early in the compilation process:
>>
>>      catastrophic error: #error directive: -- unsupported ICC
>> configuration! Only ICC 13.1 on Linux x86_64 is supported!
>>
>> Although I can obtain the needed comiler, I'm mostly curious: is gromacs
>> 5.0 really tied to this specific version of the intel compilers?
>>
>> Thanks!
>>
>> David
>>
> Can you give some more context? Is this during the cmake step?
>

-- 
David L. Dotson
Center for Biological Physics
Arizona State University

Email: dldotson at asu.edu