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> >
> > From: gromacs
s-boun...@maillist.sys.kth.se
> On Behalf Of Harry
> Mark Greenblatt
> Sent: Thursday, March 26, 2020 12:11 AM
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] compile with intel compiler
>
> BS"D
>
>
> Yes, indeed, that was the error. I did try to define the
org
Subject: Re: [gmx-users] compile with intel compiler
Hi,
Are you referring to this type of error:
-- Performing Test USING_LIBSTDCXX
-- Performing Test USING_LIBSTDCXX - Success
CMake Error at cmake/FindLibStdCpp.cmake:119 (message):
Found g++ at /usr/bin/g++. Its version is 4.8.5. GROMA
arch 25, 2020 3:46 AM
> To: gmx-us...@gromacs.org
> Subject: [gmx-users] compile with intel compiler
>
> BS”D
>
> Dear All,
>
> I would like to compile Gromacs 2020 with an intel compiler; I set the
> following:
>
> -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_COMPILE
Dear Harry,
I'm not an expert, but before running gromacs install I "sourced" all Intel
libraries, and specified SIMD for my processor:
source /opt/intel/bin/compilervars.sh intel64
source /opt/intel/impi/2019.5.281/intel64/bin/mpivars.sh
source /opt/intel/mkl/bin/mklvars.sh intel64
sudo cmake
BS”D
Dear All,
I would like to compile Gromacs 2020 with an intel compiler; I set the
following:
-DCMAKE_C_COMPILER=icc -DCMAKE_CXX_COMPILER=icpc -DGMX_MPI=on
-DGMX_BUILD_OWN_FFTW=OFF -DGMX_FFT_LIBRARY=mkl
-DMKL_LIBRARIES=$MKLROOT/lib/intel64 -DMKL_INCLUDE_DIR=$MKLROOT/include
Despite
