Re: [AMBER] Amber14 Installation with cuda

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 21 Jan 2016 09:56:01 -0500

On Thu, Jan 21, 2016 at 9:30 AM, יוכבד <ybaime.gmail.com> wrote:

> Hi
>
> I just installed Amber14 with cuda.
>
> The installation completed with no errors however when I run the test I get
> the following message:
> cd gb_ala3/ && ./Run.igb1_ntc1_min SPFP
> /private/gnss/Amber14/amber14//include/netcdf.mod
> ../../../bin/pmemd.cuda_SPFP: error while loading shared libraries:
> libcurand.so.6.5: cannot open shared object file: No such file or directory
>
> my .cshrc file does include the path to cuda:
>
> setenv CUDA_HOME /usr/local/cuda-6.5/
> set path = ($path /usr/local/cuda-6.5/lib64)
>
> any idea what could be the problem?
>

​Looks like you need to add $CUDA_HOME/lib64 to your LD_LIBRARY_PATH. Try
adding this:

setenv LD_LIBRARY_PATH "${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}"

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Jan 21 2016 - 07:00:04 PST
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