[gmx-users] installion of gromacs 5.07

[Mark Abraham]

Hi,

No, CUDA is a toolkit for compiling and running on GPUs. A compiler is a
program for turning source code into something a computer can run. Your OS
seems quite old, so the default compiler is too old to be useful for
compiling GROMACS. How to decide what to do to get an updated compiler is
not really on topic here, because it's so specific to your OS.

Mark

On Tue, Apr 17, 2018 at 12:26 PM SHAHEE ISLAM <islamshahee at gmail.com> wrote:

> Thank you so much for your quick reply.
> "you will need to use a more recent compiler"
> for my installation error i did not understand about "CUDA".
> Did i need to install cuda to overcome the error.
>
>
> On 4/17/18, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> > Hi,
> >
> > Please consider installing a recent version of GROMACS, which is not only
> > easier to use and install but is still supported and will have fewer
> bugs,
> > too. Either way, you will need to use a more recent compiler than you
> seem
> > to have available on your system.
> >
> > Mark
> >
> > On Tue, Apr 17, 2018 at 11:47 AM SHAHEE ISLAM <islamshahee at gmail.com>
> > wrote:
> >
> >> hi,
> >> i am just new of gromacs.I want to install the gromacs 5.07.I am
> >> following this tutorial
> >> http://www.gromacs.org/Documentation/Installation_Instructions_5.0
> >>
> >> at first i have install cmake3.2.0.then follow this
> >> tar xfz gromacs-5.0.7.tar.gz
> >> cd gromacs-5.0.7
> >> mkdir build
> >> cd build
> >> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
> >> but atfer the last command i am getting this error
> >>
> >> -- No compatible CUDA toolkit found (v4.0+), disabling native GPU
> >> acceleration
> >> CMake Error at cmake/gmxTestSimd.cmake:100 (message):
> >>   Cannot find SSE4.1 compiler flag.  Use a newer compiler, or choose
> SSE2
> >>   SIMD (slower).
> >> Call Stack (most recent call first):
> >>   CMakeLists.txt:729 (gmx_test_simd)
> >>
> >>
> >> -- Configuring incomplete, errors occurred!
> >> See also "/data/gromacs/gromacs-5.0.7/build/CMakeFiles/CMakeOutput.log".
> >> See also "/data/gromacs/gromacs-5.0.7/build/CMakeFiles/CMakeError.log".
> >>
> >> How can i solve the problem and go for the further steps.Please help me.
> >> Thanking you
> >> shahee
> >> --
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