[gmx-users] GPU-gromacs
Dear prof., i want install gromacs on a multi-core workstation with a GPU(tesla c2075), should i install the openmpi or mpich2? -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
Re: [gmx-users] GPU-gromacs
On Oct 25, 2013, at 4:07 PM, aixintiankong aixintiank...@126.com wrote: Dear prof., i want install gromacs on a multi-core workstation with a GPU(tesla c2075), should i install the openmpi or mpich2? If you want to run Gromacs on just one workstation with a single GPU, you do not need to install an MPI library at all! Carsten -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Dr. Carsten Kutzner Max Planck Institute for Biophysical Chemistry Theoretical and Computational Biophysics Am Fassberg 11, 37077 Goettingen, Germany Tel. +49-551-2012313, Fax: +49-551-2012302 http://www.mpibpc.mpg.de/grubmueller/kutzner http://www.mpibpc.mpg.de/grubmueller/sppexa -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
[gmx-users] GPU-GROMACS and OPLS-AA
Allowed the use of force field OPLS-AA in GPU-GROMACS (GROMACS v.4.5.3 или GROMACS v.4.5.5) ? Video Card: nVidia GeForce GTS 450 -- View this message in context: http://gromacs.5086.n6.nabble.com/GPU-GROMACS-and-OPLS-AA-tp4998740.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
[gmx-users] GPU-GROMACS and OPLS-AA
Allowed the use of force field OPLS-AA in GPU-GROMACS (GROMACS v.4.5.3 или GROMACS v.4.5.5) ? Video Card: nVidia GeForce GTS 450 -- View this message in context: http://gromacs.5086.n6.nabble.com/GPU-GROMACS-and-OPLS-AA-tp4998741.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
RE: [gmx-users] GPU GROMACS
Hi, OpenMM can do pbc and it can simulate molecules, so it can also simulate solvents. Berk Date: Wed, 3 Mar 2010 10:52:54 -0500 From: j...@drugdiscoveryathome.com To: gmx-users@gromacs.org Subject: [gmx-users] GPU GROMACS Is anyone working on a build GROMACS with CUDA other than the OpenMM project? I would like to build this with explicit solvents and as I understand it, OpenMM is implicit. -- Jack http://drugdiscoveryathome.com http://hydrogenathome.org -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php _ New Windows 7: Find the right PC for you. Learn more. http://windows.microsoft.com/shop-- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[gmx-users] GPU GROMACS
Is anyone working on a build GROMACS with CUDA other than the OpenMM project? I would like to build this with explicit solvents and as I understand it, OpenMM is implicit. -- Jack http://drugdiscoveryathome.com http://hydrogenathome.org -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
