Thank you for trying to help me. I will take into account all your comments.
On Sun, Apr 26, 2020 at 6:18 PM lazaro monteserin < lamonteserincastan...@gmail.com> wrote: > Hey Netaly, are you trying to install Gromacs 2019 and 2020 at the same > time? If not a couple of things to keep in mind. Be sure before installing > Gromacs you have all the utilities that Gromacs use, compilers, etc and > that their versions are supported. I saw you are trying to install it for > GPU, for that you need to install first the cuda toolkit versiĆ³n for your > linux. Now if you are installing Gromacs in an Ubuntu virtual machine on > windows this is going to be a big problem. So for this case my > recommendation is install it without GPU. Follow the instructions for > installation in the website. Should work perfectly. Kindly, Lazaro > > On Sun, Apr 26, 2020 at 12:07 PM Yu Du <ydu-...@outlook.com> wrote: > > > Hi Netaly, > > > > Although I do not know the exact reason of the failure, after skimming > > through your command, I think that you probably need to assign absolute > > path to CMAKE_INSTALL_PREFIX and have access to the internet for > > downloading REGRESSIONTEST and FFTW package. > > > > If you are new to GROMACS, I recommend installation from simple case, > such > > as only CPU no GPU. Only after successfully installing CPU only version > > GROMACS, run to the next level CPU+GPU. This step-by-step installation > > practice can give you a feeling of choosing CMake options. > > > > Cheers, > > > > Du, Yu > > PhD Student, > > Shanghai Institute of Organic Chemistry > > 345 Ling Ling Rd., Shanghai, China. > > Zip: 200032, Tel: (86) 021 5492 5275 > > ________________________________ > > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se < > > gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Netaly > > Khazanov <neta...@gmail.com> > > Sent: Sunday, April 26, 2020 15:38 > > To: Discussion list for GROMACS users <gmx-us...@gromacs.org> > > Subject: [gmx-users] gromacs installation (2020&2019) > > > > Dear All, > > I am trying to install gromacs 2020 and 2019 versions on CentOS release > > 6.10 (Final) linux system. > > I passed throuht cmake compilation. Using command > > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON > -DGMX_GPU=on > > -DCMAKE_INSTALL_PREFIX=gromacs2020 > > -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-9.0 -DGMX_FFT_LIBRARY=fftw3 > > -DCMAKE_C_COMPILER=/opt/rh/devtoolset-6/root/usr/bin/cc > > -DCMAKE_CXX_COMPILER=/opt/rh/devtoolset-6/root/usr/bin/g++ > > -DCUDA_HOST_COMPILER=/opt/rh/devtoolset-6/root/usr/bin/g++ > > I've used gcc 5 version (tried also 6 version) > > > > However, I am struggling through make execution : > > in gromacs 2019 - > > > > [ 37%] Built target libgromacs_generated > > [ 37%] Built target libgromacs_external > > Scanning dependencies of target gpu_utilstest_cuda > > [ 37%] Linking CXX shared library > ../../../../lib/libgpu_utilstest_cuda.so > > [ 37%] Built target gpu_utilstest_cuda > > > > in gromacs 2020- > > [ 27%] Built target linearalgebra > > [ 27%] Built target scanner > > [ 27%] Built target tng_io_obj > > [ 27%] Built target modularsimulator > > > > It just stuck on the line and doesn't continue to run. > > > > Any suggestions will be appreciated. > > Thanks in advance. > > > > > > -- > > Netaly > > -- > > 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. -- Netaly -- 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.