[gmx-users] Compiling GMX for GPU
Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... -- Looking for NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 CUDA_TOOLKIT_ROOT_DIR not found or specified -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at least version 4.0) CMake Error at cmake/gmxManageGPU.cmake:145 (message): mdrun supports native GPU acceleration on NVIDIA hardware with compute capability = 2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime. ... It seems like the entire library is missing! Note: I was able to compile without CUDA before on the same system, everything worked fine. Any suggestions? Thanks, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Compiling GMX for GPU
Hi, Is there something unclear about the message? You need to let CMake know where CUDA is, and apparently your package is installed in a place where standard mechanisms can't find it. So when you find out where it is, you can use cmake -Dthatvariable=/some/path. Good luck! Mark On Tue, Jun 30, 2015 at 10:49 PM Alex nedoma...@gmail.com wrote: Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... -- Looking for NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 CUDA_TOOLKIT_ROOT_DIR not found or specified -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at least version 4.0) CMake Error at cmake/gmxManageGPU.cmake:145 (message): mdrun supports native GPU acceleration on NVIDIA hardware with compute capability = 2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime. ... It seems like the entire library is missing! Note: I was able to compile without CUDA before on the same system, everything worked fine. Any suggestions? Thanks, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Compiling GMX for GPU
Hi, apt provides functionality to let you know where stuff got put :-) You do need the SDK, not just the driver. Mark On Tue, Jun 30, 2015 at 11:15 PM Alex nedoma...@gmail.com wrote: That's the problem... I can't see CUDA anywhere in the system. :) Alex On Tue, Jun 30, 2015 at 2:54 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, Is there something unclear about the message? You need to let CMake know where CUDA is, and apparently your package is installed in a place where standard mechanisms can't find it. So when you find out where it is, you can use cmake -Dthatvariable=/some/path. Good luck! Mark On Tue, Jun 30, 2015 at 10:49 PM Alex nedoma...@gmail.com wrote: Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... -- Looking for NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 CUDA_TOOLKIT_ROOT_DIR not found or specified -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at least version 4.0) CMake Error at cmake/gmxManageGPU.cmake:145 (message): mdrun supports native GPU acceleration on NVIDIA hardware with compute capability = 2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime. ... It seems like the entire library is missing! Note: I was able to compile without CUDA before on the same system, everything worked fine. Any suggestions? Thanks, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Compiling GMX for GPU
That's the problem... I can't see CUDA anywhere in the system. :) Alex On Tue, Jun 30, 2015 at 2:54 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, Is there something unclear about the message? You need to let CMake know where CUDA is, and apparently your package is installed in a place where standard mechanisms can't find it. So when you find out where it is, you can use cmake -Dthatvariable=/some/path. Good luck! Mark On Tue, Jun 30, 2015 at 10:49 PM Alex nedoma...@gmail.com wrote: Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... -- Looking for NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 CUDA_TOOLKIT_ROOT_DIR not found or specified -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at least version 4.0) CMake Error at cmake/gmxManageGPU.cmake:145 (message): mdrun supports native GPU acceleration on NVIDIA hardware with compute capability = 2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime. ... It seems like the entire library is missing! Note: I was able to compile without CUDA before on the same system, everything worked fine. Any suggestions? Thanks, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Compiling GMX for GPU
I do get that I need the SDK, but the Nvidia's deb package was installed with dpkg and now none of the default locations have the CUDA libs. Also, I feel like I don't know what I am doing. :) Alex On Tue, Jun 30, 2015 at 3:17 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, apt provides functionality to let you know where stuff got put :-) You do need the SDK, not just the driver. Mark On Tue, Jun 30, 2015 at 11:15 PM Alex nedoma...@gmail.com wrote: That's the problem... I can't see CUDA anywhere in the system. :) Alex On Tue, Jun 30, 2015 at 2:54 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, Is there something unclear about the message? You need to let CMake know where CUDA is, and apparently your package is installed in a place where standard mechanisms can't find it. So when you find out where it is, you can use cmake -Dthatvariable=/some/path. Good luck! Mark On Tue, Jun 30, 2015 at 10:49 PM Alex nedoma...@gmail.com wrote: Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... -- Looking for NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 CUDA_TOOLKIT_ROOT_DIR not found or specified -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at least version 4.0) CMake Error at cmake/gmxManageGPU.cmake:145 (message): mdrun supports native GPU acceleration on NVIDIA hardware with compute capability = 2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime. ... It seems like the entire library is missing! Note: I was able to compile without CUDA before on the same system, everything worked fine. Any suggestions? Thanks, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Compiling GMX for GPU
Hi, Find out from dpkg docs how to query where it put stuff. /opt/cuda/xyz is my bet Mark On Tue, Jun 30, 2015 at 11:27 PM Alex nedoma...@gmail.com wrote: I do get that I need the SDK, but the Nvidia's deb package was installed with dpkg and now none of the default locations have the CUDA libs. Also, I feel like I don't know what I am doing. :) Alex On Tue, Jun 30, 2015 at 3:17 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, apt provides functionality to let you know where stuff got put :-) You do need the SDK, not just the driver. Mark On Tue, Jun 30, 2015 at 11:15 PM Alex nedoma...@gmail.com wrote: That's the problem... I can't see CUDA anywhere in the system. :) Alex On Tue, Jun 30, 2015 at 2:54 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, Is there something unclear about the message? You need to let CMake know where CUDA is, and apparently your package is installed in a place where standard mechanisms can't find it. So when you find out where it is, you can use cmake -Dthatvariable=/some/path. Good luck! Mark On Tue, Jun 30, 2015 at 10:49 PM Alex nedoma...@gmail.com wrote: Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... -- Looking for NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 CUDA_TOOLKIT_ROOT_DIR not found or specified -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at least version 4.0) CMake Error at cmake/gmxManageGPU.cmake:145 (message): mdrun supports native GPU acceleration on NVIDIA hardware with compute capability = 2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime. ... It seems like the entire library is missing! Note: I was able to compile without CUDA before on the same system, everything worked fine. Any suggestions? Thanks, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to
Re: [gmx-users] Compiling GMX for GPU
On 30-06-2015 18:45, Alex wrote: Hey Mark, Let me first try http://www.r-tutor.com/gpu-computing/cuda-installation/cuda7.0-ubuntu Somehow in a few tutorials people assumed that apt-get update/upgrade after installing that deb package would automatically install CUDA, which does not at all seem to be the case. Let's see if a manual install gives me something to write home about. Thanks, Alex Hi Alex The 'cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb' only installs the package repository information. Now you need to install the cuda sdk packages themselves. There's no need to install cuda from the .run file . [ ]'s -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
Re: [gmx-users] Compiling GMX for GPU
Hey Mark, Let me first try http://www.r-tutor.com/gpu-computing/cuda-installation/cuda7.0-ubuntu Somehow in a few tutorials people assumed that apt-get update/upgrade after installing that deb package would automatically install CUDA, which does not at all seem to be the case. Let's see if a manual install gives me something to write home about. Thanks, Alex On Tue, Jun 30, 2015 at 3:41 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, Find out from dpkg docs how to query where it put stuff. /opt/cuda/xyz is my bet Mark On Tue, Jun 30, 2015 at 11:27 PM Alex nedoma...@gmail.com wrote: I do get that I need the SDK, but the Nvidia's deb package was installed with dpkg and now none of the default locations have the CUDA libs. Also, I feel like I don't know what I am doing. :) Alex On Tue, Jun 30, 2015 at 3:17 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, apt provides functionality to let you know where stuff got put :-) You do need the SDK, not just the driver. Mark On Tue, Jun 30, 2015 at 11:15 PM Alex nedoma...@gmail.com wrote: That's the problem... I can't see CUDA anywhere in the system. :) Alex On Tue, Jun 30, 2015 at 2:54 PM, Mark Abraham mark.j.abra...@gmail.com wrote: Hi, Is there something unclear about the message? You need to let CMake know where CUDA is, and apparently your package is installed in a place where standard mechanisms can't find it. So when you find out where it is, you can use cmake -Dthatvariable=/some/path. Good luck! Mark On Tue, Jun 30, 2015 at 10:49 PM Alex nedoma...@gmail.com wrote: Hi all, I am setting up my local box to get GPU acceleration. This is Mint 17.1 (latest Ubuntu kernel). Here is what I am doing: sudo dpkg -i cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb apt-get update apt-get upgrade Then, compiling GMX 5.0.5 with -DGMX_GPU=on. Here is what I get: ... -- Looking for NVIDIA GPUs present in the system -- Number of NVIDIA GPUs detected: 1 CUDA_TOOLKIT_ROOT_DIR not found or specified -- Could NOT find CUDA (missing: CUDA_TOOLKIT_ROOT_DIR CUDA_NVCC_EXECUTABLE CUDA_INCLUDE_DIRS CUDA_CUDART_LIBRARY) (Required is at least version 4.0) CMake Error at cmake/gmxManageGPU.cmake:145 (message): mdrun supports native GPU acceleration on NVIDIA hardware with compute capability = 2.0 (Fermi or later). This requires the NVIDIA CUDA toolkit, which was not found. Its location can be hinted by setting the CUDA_TOOLKIT_ROOT_DIR CMake option (does not work as an environment variable). The typical location would be /usr/local/cuda[-version]. Note that CPU or GPU acceleration can be selected at runtime. ... It seems like the entire library is missing! Note: I was able to compile without CUDA before on the same system, everything worked fine. Any suggestions? Thanks, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at
Re: [gmx-users] Compiling GMX for GPU
Yeah, it's all good now, GMX built OK. Let's see if it actually works. Thanks, Alex On Tue, Jun 30, 2015 at 4:11 PM, Fabricio Cannini fcann...@gmail.com wrote: On 30-06-2015 18:45, Alex wrote: Hey Mark, Let me first try http://www.r-tutor.com/gpu-computing/cuda-installation/cuda7.0-ubuntu Somehow in a few tutorials people assumed that apt-get update/upgrade after installing that deb package would automatically install CUDA, which does not at all seem to be the case. Let's see if a manual install gives me something to write home about. Thanks, Alex Hi Alex The 'cuda-repo-ubuntu1404-7-0-local_7.0-28_amd64.deb' only installs the package repository information. Now you need to install the cuda sdk packages themselves. There's no need to install cuda from the .run file . [ ]'s -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
