[gmx-users] Need help troubleshooting an mdrun-gpu error message!

2012-02-03 Thread Андрей Гончар
Check the permissions on /dev/nvidia* I had OpenMM, CUDA driver and gromacs installed, but I was unable to run simulations on GPU until I've set permissions to 666 -- Andrey Gontchar -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please se

Re: [gmx-users] Need help troubleshooting an mdrun-gpu error message!

2011-01-25 Thread Szilárd Páll
Hi, There are two things you should test: a) Does your NVIDIA driver + CUDA setup work? Try to run a different CUDA-based program, e.g. you can get the CUDA SDK and compile one of the simple programs like deviceQuery or bandwidthTest. b) If the above works, try to compile OpenMM from source with

[gmx-users] Need help troubleshooting an mdrun-gpu error message!

2011-01-24 Thread Solomon Berman
Hello friends, I have installed mdrun-gpu v. 4.5.3 without incident on my group's computer with a suitable GPU. The computer uses a Linux OS. CUDA and OpenMM are installed in the usual places. I created the topol.tpr file with grompp v. 4.5.3, also without incident. When I run ./mdrun-gpu -