Hello Dear Dr. James Kress
You mean, I can not run GPU of Amber by this graphic cart( GF108, GeForce
GT 440 ) !. I have run GPU version of Gromacs package with this graphic
cart.
Dr. Karim Mahnam
Associate Professor in Shahrkord University
On Sat, Aug 17, 2019 at 8:46 PM James Kress <jimkress_58.kressworks.org>
wrote:
> Given NVIDIA's continuing chaos generation of its own GPU/ GPGPU market, by
> releasing new architectures at such a rapid pace, is there a document that
> delineates a comparison of Amber software/ NVIDIA architecture
> compatibility? I've noticed some postings on this list that seem to
> indicate backwards compatibility is not a goal for NVIDIA.
>
> Thanks.
>
> Jim Kress
>
> -----Original Message-----
> From: Karim Mahnam <karimmahnam93.gmail.com>
> Sent: Saturday, August 17, 2019 3:47 AM
> To: AMBER.ambermd.org
> Subject: [AMBER] Error searching for compatible GPU in Amber18
>
> Hello Dear Amber users
> My graphic cart is NVIDIA Corporation GF108 [GeForce GT 440] (rev a1) and I
> installed its driver (nvidia-340) and cuda toolkit 9.1 (nvcc: NVIDIA (R)
> Cuda compiler driver, Cuda compilation tools, release 9.0, V9.0.176) and I
> can run deviceQuary command, and Amber18 with GPU compatibility without
> error, I also set environmental variables:
> export AMBERHOME=/usr/local/amber18
> export CUDA_HOME=/usr/local/cuda
> export PATH=${PATH}:/usr/local/cuda/bin
> export
>
> LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/usr/local/cuda/lib64:/usr/local/cuda/lib
>
> in .bashrc and source it, but when I run make test, all jobs fail.
>
> when I run pmemd.cuda, it says:
> Unit 5 Error on OPEN: mdin
>
> But when I run pmemd.cuda for my inputs files (pmemd.cuda -O -i md.in -o
> md1.out -p com.prmtop -c md.rst -r md1.rst -x md1.inpcrd -e mdenergy1.dat)
> ,
> it says:
>
> Error searching for compatible GPU
>
> I also can not run :
> mpirun -np 8 pmemd.cuda -O -i md.in -o md1.out -p com.prmtop -c md.rst -r
> md1.rst -x md1.inpcrd -e mdenergy1.dat Would you please tell me, how can I
> solve this problem.
> Thank you very much
>
> Dr. Karim Mahnam
> Associate Professor in Shahrkord University
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Received on Sun Aug 18 2019 - 23:00:02 PDT
