[gmx-users] Regarding installation in gpu

[SOUVIK MONDAL]

The gnu compiler version is low that is why I am trying to install version 4.6.2.
"Maybe need administrative privileges."
Does it mean that I need root permission?
----- Original Message -----
From: "Justin Lemkul" <jalemkul at vt.edu>
To: gmx-users at gromacs.org
Sent: Wednesday, June 15, 2016 4:57:07 PM
Subject: Re: [gmx-users] Regarding installation in gpu



On 6/15/16 7:06 AM, SOUVIK MONDAL wrote:
> Hi
>   I got the following error during gromacs4.6.2  installation(parallel ver)  in gpu.
>
> Error :
> Install the project...
> -- Install configuration: "Release"
> CMake Error at cmake_install.cmake:44 (file):
>   file cannot create directory: /usr/local/gromacs/share/gromacs.  Maybe need
>   administrative privileges.
>
> Command used for the installation
>
> /home/thajari/Gromacs/cmake-3.5.2/bin/cmake .. -DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda -DGMX_BUILD_OWN_FFTW=ON -DGMX_PREFER_STATIC_LIBS=ON -DBUILD_SHARED_LIBS=OFF -DGMX_X11=OFF -DGMX_MPI=OFF
>
> make
>
> make install
>
> While performing make install the above error was coming.
>

"Maybe need administrative privileges."

This means you're not allowed to install there without being admin/root.

Perhaps the bigger question is why you're installing an ancient version of the code.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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