[gmx-users] [gmx-developers] Gromacs 5.0.5 Parallelization GPU Tesla S1070

[Szilárd Páll]

Hi Antoniel,

GROMACS 4.5 should work, just make sure to install a compatible OpenMM
version.

Cheers,

--
Szilárd

On Fri, Dec 11, 2015 at 2:30 PM, Antoniel A. S. Gomes <agomes at ibb.unesp.br>
wrote:

> Hi Szilárd.
>
> Yeah, I saw that. But the problem is: in gromacs website (
> http://www.gromacs.org/Documentation/Installation_Instructions_4.5/GROMACS-OpenMM)
> says my GPU card is compatible. Probably if I use an older version of
> Gromacs it will works right?
>
> Thank you.
>
> Best regards,
>
> Antoniel A. S. Gomes
>
> Bacharel em Ciências Biológicas, UEPB - Campus V
> Mestre em Biologia Celular e Molecular, UFPB - Campus I
> Doutorando em Biologia Geral e Aplicada, UNESP - Instituto de Biociências
> - Botucatu
> Lattes: http://lattes.cnpq.br/2330777925652141
>
> ----- Mensagem original -----
> De: "Szilárd Páll" <pall.szilard at gmail.com>
> Para: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> Enviadas: Sexta-feira, 11 de dezembro de 2015 11:25:33
> Assunto: Re: [gmx-users] [gmx-developers] Gromacs 5.0.5 Parallelization
> GPU     Tesla S1070
>
> Hi,
>
> The hardware detection output should clearly state that your GPU is
> incompatible. As the documentation points out [1], only compute capability
> 2.0 or newer GPUs are supported with the CUDA acceleration in GROMACS.
>
>
> http://manual.gromacs.org/documentation/5.1/install-guide/index.html#gpu-support
>
> Cheers,
>
> --
> Szilárd
>
> On Fri, Dec 11, 2015 at 2:01 PM, Antoniel A. S. Gomes <agomes at ibb.unesp.br
> >
> wrote:
>
> > Hi.
> >
> > I'm getting another problem using Gromacs in GPU parallelization
> >
> > I have a Tesla S1070 (T10 Processor) and I'm trying to compile Gromacs
> > 5.0.5 to recognize it.
> >
> > Firstly, let me specify my hardware/software information:
> >
> > - Ubuntu 14.04 server (no graphical interface)
> > - Tesla S1070 GPU card (T10 Processor):
> >      --- PCI bridge: NVIDIA Corporation NF200 PCIe 2.0 switch for Quadro
> > Plex S4 / Tesla S870 / Tesla S1070 / Tesla S2050
> >      --- 3D controller: NVIDIA Corporation GT200GL [Tesla C1060 / M1060]
> >
> >
> > I tried to follow the suggested tutorials (install nvidia driver, cuda
> and
> > openMM) but mdrun says my card is incompatible, although it's recognized.
> >
> > I'm afraid if Gromacs 5.0.5 version is able to recognize my GPU card,
> > because Tesla S1070 driver (270 version) uses cuda only in 2.2 version
> (and
> > OpenMM needs higher cuda versions).
> >
> > So, there's a way to configure Tesla S1070 GPU card to get recognized
> > using Gromacs 5.0.5? I mean, what drivers versions are needed (or what
> > Gromacs versions supports it)?
> >
> > Best regards,
> >
> > Antoniel A. S. Gomes
> >
> > Bacharel em Ciências Biológicas, UEPB - Campus V
> > Mestre em Biologia Celular e Molecular, UFPB - Campus I
> > Doutorando em Biologia Geral e Aplicada, UNESP - Instituto de Biociências
> > - Botucatu
> > Lattes: http://lattes.cnpq.br/2330777925652141
> > --
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