From: Robert Wohlhueter (bobwohlhueter_at_earthlink.net)
Date: Sun Sep 28 2014 - 12:00:17 CDT
Glory be to god, and Jim Philips!
I didn't quite follow you advice, which suggested that compiling from
source should work with cuda5.5. Rather, I bit the bullet, upgraded to
cuda6.5, followed some advice from the Ubuntu community to work around
the incompatibility of nvidia's libopencli and wine, and tweaked my
LD_LIBRARY_PATH.
And, voila!, everything worked (using pre-compiled
NAMD_CVS-2014-09-20_Linux-x86_64-multicore-CUDA) -- using 4 cores and
cuda acceleration on my 660Ti card.
Thanks a bunch,
Bob Wohlhueter
On 9/26/14, 6:25 PM, Jim Phillips wrote:
>
> NAMD 2.9 binaries should run with newer CUDA releases as long as the
> LD_LIBRARY_PATH is set to the included libcudart.so.
>
> Also, NAMD 2.10b1 or nightly build source code will compile with CUDA
> 5.5 (which is the latest available for Cray XK7), and I think it works
> with everything back to CUDA 4.0. The compilations directions are
> relatively straightforward, and probably simpler than debugging WINE.
>
> Jim
>
>
> On Mon, 22 Sep 2014, Robert Wohlhueter wrote:
>
>> I am now running Ubuntu 14.04 on an AMD64 machine with a GTX 660Ti
>> graphics board. The out-of-the-box instalation of 14.04 includes
>> CUDA version 5.5. After my upgrade to 14.04 my previous installation
>> of namd2 (NAMD_2.9_Linux-x86_64-CUDA) seems to be broken.
>>
>> My first impulse was to install a newer namd build, namely
>> NAMD_CVS-2014-09-20_Linux-x86_64-multicore-CUDA. Running that
>> version presents cuda errors -- which is doubtless explained from the
>> note in the namd-user-manual that v. 2.10b1 (and newer?) "supports"
>> CUDA 6.0 (probably implying that it does not support CUDA 5.5).
>> Following the manual's advice to make sure the libcudart.so delivered
>> with NAMD_CVS-2014-09-20_Linux-x86_64-multicore-CUDA is out-front in
>> LD_LIBRRY_PATH is of no avail.
>>
>> My next idea was thus to upgrade my cuda support. NVIDIA's website
>> has a recipe for that:
>> I downloaded
>> "cuda-repo-ubuntu1404_6.5-14_amd64.debcuda-repo-ubuntu1404_6.5-14_amd64.deb",
>> ran "sudo -i " on that deb package, then "sudo apt-get update", then
>> "sudo apt-get install cuda" and got complains, most saliently that
>> dependencies were not met. Exploring this approach a little more
>> with synaptic, I find synaptic lists "cuda" and claims a latest
>> version as 6,5-14. But when I mark it for install, it tells me that
>> it will uninstall a bunch of things, including ocl-icd libs and
>> wine! Those removals would cause me a lot of grief.
>>
>> So it seems the path of least resistance would be to try to revert to
>> a previous version of namd-cuda which would be compatible with v. 5.5
>> of cuda. Which is that?
>>
>> Or perhaps one can suggest a slick way of installing getting to CUDA
>> 6.5 without destroying WINE, etc.
>>
>> Thanks,
>>
>> Bob Wohhueter
>>
>>
>
>
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