Hello Daer Amber uses
I have a graphic card (NVIDIA GeForce GT 440). My GPU name is GF108 and my
GPU variant is GF108-400-A1 with Fermi architecture. Which version of Amber
is suitable for running pme.cuda?
Dr. Karim Mahnam
Associate Professor in Shahrkord University
On Mon, Aug 19, 2019 at 4:43 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> The GF108 variant (Fermi) is not supported by the latest versions of
> pmemd.cuda; see http://ambermd.org/GPUHardware.php for a list of
> supported hardware.
>
> Basically, NVIDIA has changed around their GPU architectures so much
> over the years that the code required massive updates to properly
> utilize the latest hardware.
>
> -Dan
>
> On Mon, Aug 19, 2019 at 1:53 AM Karim Mahnam <karimmahnam93.gmail.com>
> wrote:
> >
> > 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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> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > >
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Received on Mon Aug 19 2019 - 10:30:03 PDT
