[gmx-users] Reg error in Compilation Of Gromacs 4.6.2

[Justin Lemkul]

On 11/8/13 7:44 AM, vidhya sankar wrote:
>
> Dear Justin Thank you for your Previous reply,
>
>
>
> I am trying to Install gromacs 4.6.2  in a cluster having centos
> OS with teh Following Command   I got following error
> cmake ..
> -DGMX_BUILD_OWN_FFTW=ON   -DGMX_MPI=ON
> -DGMX_DOUBLE=ON
>
>
>   CMake Warning at CMakeLists.txt:785 (message):
>   No C AVX flag found. Consider a newer compiler, or try SSE4.1 (lower
>   performance).
>
>
>   CMake Warning at CMakeLists.txt:802 (message):
>   No C FMA4 flag found. Consider a newer compiler, or try SSE4.1 (lower
>   performance).
>
>
>   CMake Error at CMakeLists.txt:872 (gmx_test_avx_gcc_maskload_bug):
>   GMX_TEST_AVX_GCC_MASKLOAD_BUG Macro invoked with incorrect arguments
> for
>   macro named: GMX_TEST_AVX_GCC_MASKLOAD_BUG
>
>
>   -- The GROMACS-managed build of FFTW 3 will configure with the
> following optimizations: --enable-sse2
>   -- Configuring incomplete, errors occurred!
>
>   The
> Aforesaid Error Indicates What is the Lack ?
>   I
> Think  I need Latest Compiler (Please Indicate Version)
> is it Correct Not?
>   How
> to solve the problem What are Prerequestite i need ?
>

You haven't said what compiler you're using, but suffice it to say based on the 
above messages, it's too old to make use of the best optimizations.  Either 
upgrade the compiler or accept SSE4.1 optimization instead of AVX.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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