[gmx-users] generic hardware assembling for gromacs simulation
sekekeretsu at gmail.com
Tue Nov 20 07:11:41 CET 2018
Thank you for answering .
I am using Centos 6. My current simulation time for protein-ligand
systems is about 1.6 ns/day. I am wondering if installing the GTX 1050
or GTX 970 can boost the output significantly (maybe 2 or 3 times more
?). I am installing just as mentioned below.
tar xfz gromacs-2018.4.tar.gz
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
sudo make install
Do i need to pass some other options during the configuration for the GPU?
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