VMD-L Mailing List

From: Kanishk Jain (kjain_at_ucla.edu)
Date: Wed Mar 08 2017 - 14:48:18 CST

I double checked and noticed there was indeed an initial error which may
explain why I'm not able to connect to NAMD:

Reason: FATAL ERROR: CUDA error cudaGetDeviceCount(&deviceCount) in file
src/DeviceCUDA.C, function initialize

 on Pe 3 (Kanishks-iMac.local): CUDA driver version is insufficient for
CUDA runtime version

Does this mean that my GPU (NVIDIA GeForce GT 750M 1024 MB) isn't good
enough? I updated the NVIDIA web drivers as well, but still nothing.

I've used the non-CUDA version of NAMD (NAMD_2.12_MacOSX-x86_64-multicore)
succesfully, but I was hoping that the CUDA version would allow me to
utilize my GPU and make the MD calcs much faster.

-Kanishk

On Tue, Mar 7, 2017 at 3:08 PM, Kanishk Jain <kjain_at_ucla.edu> wrote:

> Hello all,
>
> I'm an MD novice, starting out on QwikMD. I'm using a mac with the
> following versions of VMD and NAMD, respectively: vmd193macx86nocuda
> and NAMD_2.12_MacOSX-x86_64-multicore-CUDA.
>
> My problem is that when I try to start a simulation, I keep getting the
> following error:
>
> ERROR) Error connecting to localhost on port 3000
>
> I've seen a similar question to mine as it applies to Linux machines, but
> as I'm a novice, I'm not quite sure how to implement the solutions
> mentioned in those threads to my situation. Any help would be appreciated!
>
> -Kanishk
>
> --
> Sincerely,
> Kanishk Jain
> Steven G. Clarke Laboratory, PhD Candidate
> Biochemistry and Molecular Biology Program
> Department of Chemistry and Biochemistry
> University of California, Los Angeles
> 

-- 
Sincerely,
Kanishk Jain
Steven G. Clarke Laboratory, PhD Candidate
Biochemistry and Molecular Biology Program
Department of Chemistry and Biochemistry
University of California, Los Angeles