[AMBER] md simulation with GPU -Geng Dong

From: <gdong.stu.edu.cn>
Date: Wed, 6 Nov 2019 02:03:07 +0000

Hi Gera,

The GPU information:

$ubuntu-drivers devices

== /sys/devices/pci0000:07/0000:07:00.0/0000:08:00.0 ==
modalias : pci:v000010DEd00001E07sv000010DEsd000012A4bc03sc00i00
vendor : NVIDIA Corporation
driver : nvidia-driver-418 - third-party free
driver : nvidia-driver-430 - distro non-free recommended
driver : xserver-xorg-video-nouveau - distro free builtin

$nvidia-smi
Failed to initialize NVML: Driver/library version mismatch


$lspci | grep -i nvidia
08:00.0 VGA compatible controller: NVIDIA Corporation Device 1e07 (rev a1)
08:00.1 Audio device: NVIDIA Corporation Device 10f7 (rev a1)
08:00.2 USB controller: NVIDIA Corporation Device 1ad6 (rev a1)
08:00.3 Serial bus controller [0c80]: NVIDIA Corporation Device 1ad7 (rev a1)


$lspci | grep -i vga
02:00.0 VGA compatible controller: Matrox Electronics Systems Ltd. MGA G200e [Pilot] ServerEngines (SEP1) (rev 42)
08:00.0 VGA compatible controller: NVIDIA Corporation Device 1e07 (rev a1)


I installed the amber18.


Best,

Geng



>Message: 11
>Date: Tue, 5 Nov 2019 10:18:57 -0300
>From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
>Subject: Re: [AMBER] md simulation with GPU ?Geng Dong?
>To: AMBER Mailing List <amber.ambermd.org>
>Message-ID:
> CAOMpsaUAoSXh=N0=UBN3F34awVigyx-RUwOazJt9=yc+ads9AQ.mail.gmail.com>
>Content-Type: text/plain; charset="UTF-8"
>
>Hi Geng! How are you doing?
>Which model of GPU do you have? Which version of amber are you trying to
>install?
>Best regards!
>Gera!

>El mar., 5 nov. 2019 a las 5:44, ?? (<gdong.stu.edu.cn>) escribi?:

> Hi All?
> I got a problem when I run the MD simulations with GPU. The problem was
> about the display diver and cuda driver as is shown below
>
> cudaGetDeviceCount failed system has unsupported display driver / cuda
> driver combination
>
>
> The system of my machine is Ubuntu 18 LTS. Should I install the specified
> drivers in my machine. Then, which drivers should I use?
>
>
> Thank you in advance.
>
>
> Best,
>
> Geng
> _______________________________________________
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Received on Tue Nov 05 2019 - 18:30:02 PST
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