[gmx-users] Problem with Gromacs installation with GPU.

2012-08-21 Thread jesmin jahan
Dear All, I have installed gromacs 4.5.3 on a cluster. I downloaded the gromacs-4.5-GPU-beta2-X86_64 binaries and followed the following instructions: * INSTALLING FROM BINARY DISTRIBUTION: 0. Prerequisites: - OpenMM (included in the binary release) - NVIDIA CUDA libraries (version

Re: [gmx-users] Problem with Gromacs installation with GPU.

2012-08-21 Thread Szilárd Páll
Dear Jesmin, On Tue, Aug 21, 2012 at 7:21 PM, jesmin jahan shraba...@gmail.com wrote: Dear All, I have installed gromacs 4.5.3 on a cluster. I downloaded the gromacs-4.5-GPU-beta2-X86_64 binaries and followed the following instructions: Those binaries are extremely outdated. Please compile

Re: [gmx-users] Problem with Gromacs installation with GPU.

2012-08-21 Thread jesmin jahan
Dear Szilárd I have downloaded Gromacs 4.6 from git. But I saw that implicit solvent feature is still not supported. Features currently not supported by the new GPU and SSE kernels: Implicit solvent (but this will still be supported on the GPU through OpenMM) But I need the implicit solvent