Re: NAMD CUDA

From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Tue Feb 02 2021 - 18:51:41 CST

Hi Steve,

The 2.14 Linux builds of NAMD were compiled against CUDA 10.1, which requires driver version >= 418.39.

Best regards,
Dave

> On Feb 1, 2021, at 3:11 PM, Brian Radak <brian.radak_at_gmail.com> wrote:
>
> A warning on compiling with Cuda versions older than 10.1/10.2 - these occasionally do not work with newer gcc compilers (I've had this issue with 9.1 for sure). It might be harder to get an old deprecated compiler than to get a new version of Cuda, so I'd recommend the first route suggested by Josh.
>
> HTH,
>
> BKR
>
> On 2/1/21 3:12 PM, Vermaas, Josh wrote:
>> Hi Steve,
>>
>> There are two ways around this:
>>
>> Update CUDA/your driver to correspond to be greater than or equal to the CUDA/driver version NAMD was compiled against. CUDA 10.0 is from a few years ago, and the driver may just be too old.
>> Compile NAMD yourself with your existing CUDA installation. NAMD requires CUDA 9.1 according to the release notes, so you are good there.
>> -Josh
>>
>> From: <owner-namd-l_at_ks.uiuc.edu> <mailto:owner-namd-l_at_ks.uiuc.edu> on behalf of "Seibold, Steve Allan"<stevesei_at_ku.edu> <mailto:stevesei_at_ku.edu>
>> Reply-To: "namd-l_at_ks.uiuc.edu" <mailto:namd-l_at_ks.uiuc.edu> <namd-l_at_ks.uiuc.edu> <mailto:namd-l_at_ks.uiuc.edu>, "Seibold, Steve Allan"<stevesei_at_ku.edu> <mailto:stevesei_at_ku.edu>
>> Date: Monday, February 1, 2021 at 2:58 PM
>> To: "namd-l_at_ks.uiuc.edu" <mailto:namd-l_at_ks.uiuc.edu> <namd-l_at_ks.uiuc.edu> <mailto:namd-l_at_ks.uiuc.edu>
>> Subject: namd-l: NAMD CUDA
>>
>> Hello
>> I have down loaded the binary cuda version of NAMD, NAMD_2.14_x86_64-multicore-CUDA onto my Ubuntu (16.04) machine. Using the “nvidia-smi”, I found my GPU card Quadro P5000, NIVIDIA-SMI 415.27, Driver Version: 415.27 and the CUDA vesion 10.0.
>>
>> When I attempt to run namd2 get the following: “CUDA driver version is insufficient for CUDA runtime version”…I’m a novice at this, but, is this a barrier that cannot be overcome?
>>
>> Thanks, Steve

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