[gmx-users] strange GPU load distribution

Alex nedomacho at gmail.com
Mon May 7 06:33:35 CEST 2018


I am forwarding the response I received from the colleague who prepared 
the box for my GMX install -- this is from the latest installation of 
2018.1. See text below and please let me know what you think. We have no 
problem rebuilding things, but would like to understand what is wrong 
before we pause all the work.

Thank you,


"OS Ubuntu 16.04LTS

After checking gcc and kernel-headers were installed I ran the following

#sudo lspci |grep -i nvidia

 > cuda-repo-ubuntu1604_9.1.85-1_amd64.deb

#sudo dpkg -i cuda-repo-ubuntu1604_9.1.85-1_amd64.deb

#sudo apt-key adv 

#sudo dpkg -i cuda-repo-ubuntu1604_9.1.85-1_amd64.deb

#sudo apt update

#sudo apt upgrade

#sudo /sbin/shutdown -r now

After reboot

#sudo apt-get install cuda

#export PATH=/usr/local/cuda-9.1/bin${PATH:+:${PATH}}


I also compiled the samples in the cuda tree using the Makefile there 
and had no problems."

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