Re: [gmx-users] Gromacs installation with GPU support in Windows 7

:28 AM To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Gromacs installation with GPU support in Windows 7 Hi, I've implemented the fix and I verified that it works on the command line; I've successfully complied the nvcc depend file. Nonetheless, CMake still fails on compiling in that stage

Re: [gmx-users] Gromacs installation with GPU support in Windows 7

, Harry From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se on behalf of Aleksei Iupinov Sent: Tuesday, May 22, 2018 4:59 PM To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Gromacs installation with GPU support in Windows 7 Hello Harry, Thank you

Re: [gmx-users] Gromacs installation with GPU support in Windows 7

Hello Harry, Thank you for the report. It seems to be a trivial error in the code, indeed. It was not caught by the Gromacs automated testing since we don't have Windows + CUDA configuration in it. I have filed a bug report https://redmine.gromacs.org/issues/2509 and this will be fixed in Gromacs

[gmx-users] Gromacs installation with GPU support in Windows 7

Aim: Install Gromacs with GPU support in windows 7 Problem: Build step failed in Visual Studio 14 2015, using CMake 3.11 GUI in Windows Identified "issues": 1. First off, NVIDIA named their default CUDA installation directory in a space separated directory. This caused much grief when

Re: [gmx-users] Gromacs installation on GPU

Hi, The more simple way to cater for all possibilities is to configure with GPU support the first time. mdrun observes whether there are actually GPUs at run time and executes accordingly. But as Justin says, this requires that you install CUDA when you might not use it, which is usually more

Re: [gmx-users] Gromacs installation on GPU

On 3/15/17 8:43 AM, Andrew Bostick wrote: Dear Gromacs users, I had installed gromacs using following commands: tar xvf cmake-3.6.1.tar.gz tar xvzf gromacs-5.1.3.tar.gz cd ../cmake-3.6.1. ./configure make make install cd ../gromacs-5.1.3 mkdir build cd build cmake ..

[gmx-users] Gromacs installation on GPU

Dear Gromacs users, I had installed gromacs using following commands: tar xvf cmake-3.6.1.tar.gz tar xvzf gromacs-5.1.3.tar.gz cd ../cmake-3.6.1. ./configure make make install cd ../gromacs-5.1.3 mkdir build cd build cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_MPI=ON

Re: [gmx-users] Gromacs installation on GPU

http://manual.gromacs.org/documentation/2016/install-guide/index.html#cuda-gpu-acceleration -- Szilárd On Wed, Aug 10, 2016 at 11:47 AM, Atila Petrosian wrote: > *Dear* *Szilárd, * > > *Thanks for your answer,* > >> There's the issue. You need to tell the build > >>

[gmx-users] Gromacs installation on GPU

*Dear* *Szilárd, * *Thanks for your answer,* > There's the issue. You need to tell the build > system where CUDA is, e.g. by setting the > CUDA_TOOLKIT_ROOT_DIR environment variable. *How? Which command is required in linux?* *Best, * *Atila* -- Gromacs Users mailing list * Please search

Re: [gmx-users] Gromacs installation on GPU

On Tue, Aug 9, 2016 at 2:06 PM, Atila Petrosian wrote: > Dear gromacs users, > > I am installing gromacs in my system. My computational system is Rocks > 6.1.1. > > I encountered with following: > > [root@me build]# cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON

Re: [gmx-users] Gromacs installation on GPU

Dear Atila, You need to install CUDA toolkit to access the GPU facility .you can get it from here https://developer.nvidia.com/cuda-toolkit GeForce GTX 480 Is an old card,i dont know how much you can achieve using this . -- Gromacs Users mailing list * Please search the archive at

[gmx-users] Gromacs installation on GPU

Dear gromacs users, I am installing gromacs in my system. My computational system is Rocks 6.1.1. I encountered with following: [root@me build]# cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=ON -- The C compiler identification is GNU 4.4.7 -- The CXX compiler identification is GNU