Re: [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster

2013-03-08 Thread George Patargias
Hi Szilard Thanks for this tip; it was extremely useful. The problem was indeed the incompatibility between the installed NVIDIA driver and the CUDA 5.0 runtime library. Installation of an older driver solved the problem. The programs devideQuery etc can now detect the GPU. GROMACS can also detec

Re: [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster

2013-03-01 Thread Albert
The easiest way for solution is to kill MacOS ans switch to Linux. ;-) Albert On 03/01/2013 06:03 PM, Szilárd Páll wrote: Hi George, As I said before, that just means that most probably the GPU driver is not compatible with the CUDA runtime (libcudart) that you installed with the CUDA toolki

Re: [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster

2013-03-01 Thread Szilárd Páll
Hi George, As I said before, that just means that most probably the GPU driver is not compatible with the CUDA runtime (libcudart) that you installed with the CUDA toolkit. I've no clue about the Mac OS installers and releases, you'll have to do the research on that. Let us know if you have furthe

Re: [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster

2013-03-01 Thread George Patargias
Hi Szilαrd Thanks for your reply. I have run the deviceQuery utility and what I got back is /deviceQuery Starting... CUDA Device Query (Runtime API) version (CUDART static linking) cudaGetDeviceCount returned 38 -> no CUDA-capable device is detected Should I understand from this that the CUDA

Re: [gmx-users] GPU version of GROMACS 4.6 in MacOS cluster

2013-03-01 Thread Szilárd Páll
HI, That looks like the driver does not work or is incompatible with the runtime. Please get the SDK, compile a simple program, e.g. deviceQuery and see if that works (I suspect that it won't). Regarding your machines, just FYI, the Quadro 4000 is a pretty slow card (somewhat slower than a GTX 46

[gmx-users] GPU version of GROMACS 4.6 in MacOS cluster

2013-02-28 Thread George Patargias
Hello We are trying to install the GPU version of GROMACS 4.6 on our own MacOS cluster. So for the cluster nodes that have the NVIDIA Quadro 4000 cards: - We have downloaded and install the MAC OS X CUDA 5.0 Production Release from here: https://developer.nvidia.com/cuda-downloads placing the l