Re: [gmx-users] What version of cmake is required to compile v4.5b2 for GPUs?
Hi Chris, First of all, as Rossen said, the =2.6.4 is a typo, it was meant to be =2.6.4, it _should_ work with 2.8.0 (I took the FindCUDA.cmake script from the 2.8 cmake sources :), but... icc is _not_ supported by CUDA, AFAIR some people reported getting it work but only in some very limited special cases. Could you try with gcc and see if it works? Please get back to us if it doesn't! Cheers, -- Szilárd On Tue, Aug 3, 2010 at 1:06 AM, chris.ne...@utoronto.ca wrote: Ah, I see that I need version =2.6.4 This info is on the web, but not in the INSTALL_GPU file... perhaps that file could include all of the information found here: http://www.gromacs.org/index.php?title=Download_%26_Installation/Related_Software/Gromacs_on_GPUs Thanks, Chris. -- original message -- It seems that cmake 2.8.0 is not recent enough? I attempted to compile like this: cd /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2 module purge module load intel module load cuda #cuda 3.0 module load cmake #cmake 2.8.0 export CC=icc export CXX=icpc cmake /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2/src -DGMX_OPENMM=ON -DGMX_THREADS=OFF make mdrun make install-mdrun # Here is the output that I get: -- The C compiler identification is Intel -- The CXX compiler identification is Intel -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done CMake Error at gmxlib/CMakeLists.txt:110 (install): install TARGETS given no ARCHIVE DESTINATION for static library target gmx. CMake Error at mdlib/CMakeLists.txt:12 (install): install TARGETS given no ARCHIVE DESTINATION for static library target md. CMake Error at kernel/gmx_gpu_utils/CMakeLists.txt:18 (CUDA_INCLUDE_DIRECTORIES): Unknown CMake command CUDA_INCLUDE_DIRECTORIES. CMake Warning (dev) in CMakeLists.txt: No cmake_minimum_required command is present. A line of code such as cmake_minimum_required(VERSION 2.8) should be added at the top of the file. The version specified may be lower if you wish to support older CMake versions for this project. For more information run cmake --help-policy CMP. This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring incomplete, errors occurred! make: *** No rule to make target `mdrun'. Stop. make: *** No rule to make target `install-mdrun'. Stop. thank you, Chris. -- gmx-users mailing list gmx-us...@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 thewww interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- 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
Re: [gmx-users] What version of cmake is required to compile v4.5b2 for GPUs?
Hi Chris, Though I'm repeating myself, for the sake of not leaving this post unanaswered (btw reposts should be avoided as much as possible!): First of all, as Rossen said, the =2.6.4 is a typo, it was meant to be =2.6.4, it _should_ work with 2.8.0 (I took the FindCUDA.cmake script from the 2.8 cmake sources :), but... icc is _not_ supported by CUDA, AFAIR some people reported getting it work but only in some very limited special cases. Could you try with gcc and see if it works? Please get back to us if it doesn't! Cheers, -- Szilárd On Wed, Aug 4, 2010 at 12:38 AM, chris.ne...@utoronto.ca wrote: Thanks Rossen, I did not yet get it working. I just posted under a more relevant title, please see the post: http://lists.gromacs.org/pipermail/gmx-users/2010-August/052939.html (there were 2 errors, one that I fixed and one that I am still struggling with). Chris. -- original message -- Actually this was a mistake on the website, it must be CMake = 2.6.4, so 2.8.0 is fine. Although the build system requires CUDA 3.1, that doesn't seem to be the problem from your log. Did you get it to work? Rossen -- gmx-users mailing list gmx-us...@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 thewww interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- 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
Re: [gmx-users] What version of cmake is required to compile v4.5b2 for GPUs?
Hi Chris, Actually this was a mistake on the website, it must be CMake = 2.6.4, so 2.8.0 is fine. Although the build system requires CUDA 3.1, that doesn't seem to be the problem from your log. Did you get it to work? Rossen On 08/03/2010 01:06 AM, chris.ne...@utoronto.ca wrote: Ah, I see that I need version =2.6.4 This info is on the web, but not in the INSTALL_GPU file... perhaps that file could include all of the information found here: http://www.gromacs.org/index.php?title=Download_%26_Installation/Related_Software/Gromacs_on_GPUs Thanks, Chris. -- original message -- It seems that cmake 2.8.0 is not recent enough? I attempted to compile like this: cd /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2 module purge module load intel module load cuda #cuda 3.0 module load cmake#cmake 2.8.0 export CC=icc export CXX=icpc cmake /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2/src -DGMX_OPENMM=ON -DGMX_THREADS=OFF make mdrun make install-mdrun # Here is the output that I get: -- The C compiler identification is Intel -- The CXX compiler identification is Intel -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done CMake Error at gmxlib/CMakeLists.txt:110 (install): install TARGETS given no ARCHIVE DESTINATION for static library target gmx. CMake Error at mdlib/CMakeLists.txt:12 (install): install TARGETS given no ARCHIVE DESTINATION for static library target md. CMake Error at kernel/gmx_gpu_utils/CMakeLists.txt:18 (CUDA_INCLUDE_DIRECTORIES): Unknown CMake command CUDA_INCLUDE_DIRECTORIES. CMake Warning (dev) in CMakeLists.txt: No cmake_minimum_required command is present. A line of code such as cmake_minimum_required(VERSION 2.8) should be added at the top of the file. The version specified may be lower if you wish to support older CMake versions for this project. For more information run cmake --help-policy CMP. This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring incomplete, errors occurred! make: *** No rule to make target `mdrun'. Stop. make: *** No rule to make target `install-mdrun'. Stop. thank you, Chris. -- 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] What version of cmake is required to compile v4.5b2 for GPUs?
Thanks Rossen, I did not yet get it working. I just posted under a more relevant title, please see the post: http://lists.gromacs.org/pipermail/gmx-users/2010-August/052939.html (there were 2 errors, one that I fixed and one that I am still struggling with). Chris. -- original message -- Actually this was a mistake on the website, it must be CMake = 2.6.4, so 2.8.0 is fine. Although the build system requires CUDA 3.1, that doesn't seem to be the problem from your log. Did you get it to work? Rossen -- 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] What version of cmake is required to compile v4.5b2 for GPUs?
It seems that cmake 2.8.0 is not recent enough? I attempted to compile like this: cd /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2 module purge module load intel module load cuda #cuda 3.0 module load cmake#cmake 2.8.0 export CC=icc export CXX=icpc cmake /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2/src -DGMX_OPENMM=ON -DGMX_THREADS=OFF make mdrun make install-mdrun # Here is the output that I get: -- The C compiler identification is Intel -- The CXX compiler identification is Intel -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done CMake Error at gmxlib/CMakeLists.txt:110 (install): install TARGETS given no ARCHIVE DESTINATION for static library target gmx. CMake Error at mdlib/CMakeLists.txt:12 (install): install TARGETS given no ARCHIVE DESTINATION for static library target md. CMake Error at kernel/gmx_gpu_utils/CMakeLists.txt:18 (CUDA_INCLUDE_DIRECTORIES): Unknown CMake command CUDA_INCLUDE_DIRECTORIES. CMake Warning (dev) in CMakeLists.txt: No cmake_minimum_required command is present. A line of code such as cmake_minimum_required(VERSION 2.8) should be added at the top of the file. The version specified may be lower if you wish to support older CMake versions for this project. For more information run cmake --help-policy CMP. This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring incomplete, errors occurred! make: *** No rule to make target `mdrun'. Stop. make: *** No rule to make target `install-mdrun'. Stop. thank you, Chris. -- 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] What version of cmake is required to compile v4.5b2 for GPUs?
Ah, I see that I need version =2.6.4 This info is on the web, but not in the INSTALL_GPU file... perhaps that file could include all of the information found here: http://www.gromacs.org/index.php?title=Download_%26_Installation/Related_Software/Gromacs_on_GPUs Thanks, Chris. -- original message -- It seems that cmake 2.8.0 is not recent enough? I attempted to compile like this: cd /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2 module purge module load intel module load cuda #cuda 3.0 module load cmake#cmake 2.8.0 export CC=icc export CXX=icpc cmake /project/pomes/cneale/GPC/exe/intel/gromacs-4.5-beta2/src -DGMX_OPENMM=ON -DGMX_THREADS=OFF make mdrun make install-mdrun # Here is the output that I get: -- The C compiler identification is Intel -- The CXX compiler identification is Intel -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- Check for working C compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- Check for working CXX compiler: /project/scinet/gpc/intel/Compiler/11.1/072/bin/intel64/icpc -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done CMake Error at gmxlib/CMakeLists.txt:110 (install): install TARGETS given no ARCHIVE DESTINATION for static library target gmx. CMake Error at mdlib/CMakeLists.txt:12 (install): install TARGETS given no ARCHIVE DESTINATION for static library target md. CMake Error at kernel/gmx_gpu_utils/CMakeLists.txt:18 (CUDA_INCLUDE_DIRECTORIES): Unknown CMake command CUDA_INCLUDE_DIRECTORIES. CMake Warning (dev) in CMakeLists.txt: No cmake_minimum_required command is present. A line of code such as cmake_minimum_required(VERSION 2.8) should be added at the top of the file. The version specified may be lower if you wish to support older CMake versions for this project. For more information run cmake --help-policy CMP. This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring incomplete, errors occurred! make: *** No rule to make target `mdrun'. Stop. make: *** No rule to make target `install-mdrun'. Stop. thank you, Chris. -- 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
