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

[David Dotson]

Ah...I see now that it is in fact the cuda compiler that is complaining. 
Thanks!

David

On 07/30/2014 01:07 PM, Szilárd Páll wrote:
> That's the nvcc, the CUDA compiler (officially) not supporting
> anything, but that very version of the Intel compilers. I suggest you
> use a recent gcc, the resulting binary will anyway be as fast or
> faster than icc.
> --
> Szilárd
>
>
> On Wed, Jul 30, 2014 at 8:46 PM, David Dotson <dldotson at asu.edu> wrote:
>> 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
>>
>> --
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-- 
David L. Dotson
Center for Biological Physics
Arizona State University

Email: dldotson at asu.edu