[gmx-users] error in nvidia cuda installation

[Neda Rafiee]

Dear Mark and Stephane,
Thanks a lot for your very usefull advices. 

Neda

----- Original Message -----
From: Stéphane Téletchéa <stephane.teletchea at univ-nantes.fr>
To: gromacs org gmx-users <gromacs.org_gmx-users at maillist.sys.kth.se>
Sent: Mon, 03 Jul 2017 22:20:31 +0430 (IRDT)
Subject: Re: [gmx-users] error in nvidia cuda installation
Le 03/07/2017 à 17:48, Neda Rafiee a écrit :
> I am going to install GROMACS 5.1.4 which is enabled for parallelization, so I tried to install Cuda Nvidia as it is suggested in the gromacs website. I am using Linux Mint 18.1
Dear Neda,
GROMACS + CUDA wroks best if you install the driver and nvidia using the 
same download.
This works:
http://www.steletch.org/spip.php?article89
Long story short: install NVIDIA cuda + the driver from the very same 
package.
Be sure to remove all distribution-provided packages (sudo apt-get 
remove --purge *nvidia*, --purge IS important).
Best,
Stéphane
-- 
Lecturer, UFIP, UMR 6286 CNRS, Team Protein Design In Silico
UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322 Nantes cedex 03, France
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