[gmx-users] installion of gromacs 5.07
islamshahee at gmail.com
Tue Apr 17 13:26:09 CEST 2018
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:
> 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.
> On Tue, Apr 17, 2018 at 11:47 AM SHAHEE ISLAM <islamshahee at gmail.com>
>> i am just new of gromacs.I want to install the gromacs 5.07.I am
>> following this tutorial
>> 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
>> 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
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