Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Alex
Yeah, it's all good now, GMX built OK. Let's see if it actually works. Thanks, Alex On Tue, Jun 30, 2015 at 4:11 PM, Fabricio Cannini wrote: > On 30-06-2015 18:45, Alex wrote: > >> Hey Mark, >> >> Let me first try >> http://www.r-tutor.com/gpu-computing/cuda-installation/cuda7.0-ubuntu >> Som

Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Fabricio Cannini
On 30-06-2015 18:45, Alex wrote: Hey Mark, Let me first try http://www.r-tutor.com/gpu-computing/cuda-installation/cuda7.0-ubuntu Somehow in a few tutorials people assumed that apt-get update/upgrade after installing that deb package would automatically install CUDA, which does not at all seem t

Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Alex
Hey Mark, Let me first try http://www.r-tutor.com/gpu-computing/cuda-installation/cuda7.0-ubuntu Somehow in a few tutorials people assumed that apt-get update/upgrade after installing that deb package would automatically install CUDA, which does not at all seem to be the case. Let's see if a manua

Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Mark Abraham
Hi, Find out from dpkg docs how to query where it put stuff. /opt/cuda/xyz is my bet Mark On Tue, Jun 30, 2015 at 11:27 PM Alex wrote: > I do get that I need the SDK, but the Nvidia's deb package was installed > with dpkg and now none of the default locations have the CUDA libs. Also, I > feel

Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Alex
I do get that I need the SDK, but the Nvidia's deb package was installed with dpkg and now none of the default locations have the CUDA libs. Also, I feel like I don't know what I am doing. :) Alex On Tue, Jun 30, 2015 at 3:17 PM, Mark Abraham wrote: > Hi, > > apt provides functionality to let y

Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Mark Abraham
Hi, apt provides functionality to let you know where stuff got put :-) You do need the SDK, not just the driver. Mark On Tue, Jun 30, 2015 at 11:15 PM Alex wrote: > That's the problem... I can't see CUDA anywhere in the system. :) > > Alex > > On Tue, Jun 30, 2015 at 2:54 PM, Mark Abraham > w

Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Alex
That's the problem... I can't see CUDA anywhere in the system. :) Alex On Tue, Jun 30, 2015 at 2:54 PM, Mark Abraham wrote: > Hi, > > Is there something unclear about the message? You need to let CMake know > where CUDA is, and apparently your package is installed in a place where > standard me

Re: [gmx-users] Compiling GMX for GPU

2015-06-30 Thread Mark Abraham
Hi, Is there something unclear about the message? You need to let CMake know where CUDA is, and apparently your package is installed in a place where standard mechanisms can't find it. So when you find out where it is, you can use cmake -Dthatvariable=/some/path. Good luck! Mark On Tue, Jun 30,

[gmx-users] Compiling GMX for GPU

2015-06-30 Thread Alex
Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... --