Thank you! I see these: linux-vdso.so.1 => (0x00007ffc4f0df000)
libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007f10b6b51000) libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007f10b694d000) librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007f10b6745000) libcufft.so.8.0 => /mnt/shared/cuda8/lib64/libcufft.so.8.0 (0x00007f10ad8f6000) libmkl_intel_lp64.so => /home/shayna/miniconda3/lib/libmkl_intel_lp64.so (0x00007f10acde3000) libmkl_intel_thread.so => /home/shayna/miniconda3/lib/libmkl_intel_thread.so (0x00007f10aaa15000) libmkl_core.so => /home/shayna/miniconda3/lib/libmkl_core.so (0x00007f10a69e3000) libiomp5.so => /home/shayna/miniconda3/lib/libiomp5.so (0x00007f10a6608000) libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f10a62ff000) libstdc++.so.6 => /home/shayna/miniconda3/lib/libstdc++.so.6 (0x00007f10a5fc5000) libgcc_s.so.1 => /home/shayna/miniconda3/lib/libgcc_s.so.1 (0x00007f10a5db3000) libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f10a59e9000) /lib64/ld-linux-x86-64.so.2 (0x00007f10b6d6e000) Is there a simple way to get all of these or a suggestion for a better way to run gromacs on our computing cluster? Thanks, Shayna On Sun, Jul 22, 2018 at 8:11 PM Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > CMake will link to whatever it is allowed to find. What does ldd on the > executable report as the libraries being dynamically linked? Those are the > ones that cmake found for which there were apparently no static > equivalents. > > Mark > > On Sun, Jul 22, 2018, 18:16 Shayna Hilburg <shilb...@mit.edu> wrote: > > > Hi all, > > > > I'm trying to install GROMACS 2018 for use on GPUs. We typically keep the > > software on the master node and just call it through a mounted drive on > the > > compute nodes. However, despite using static library tags, it appears > there > > are still dependencies. It works fine on our master node but not on the > > compute nodes yet. > > Does anyone have a method for installing and reliably running GROMACS in > > this way (with all libraries in a prescribed location)? Any help would be > > appreciated please! At least a list of which libraries we need to > manually > > install > > > > Some information: > > -We tried these 2 different install methods in our efforts: > > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON > -DGMX_GPU=on > > -DCMAKE_INSTALL_PREFIX=/mnt/shared/gromacs2018 -DBUILD_SHARED_LIBS=OFF > > -DGMX_FFT_LIBRARY=fftw3 -DCUDA_TOOLKIT_ROOT_DIR=/mnt/shared/cuda8 > > -DGMX_PREFER_STATIC_LIBS=ON > > > > *cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON > -DGMX_GPU=on > > -DCMAKE_INSTALL_PREFIX=/mnt/shared/gromacs2018 -DGMX_BUILD_SHARED_EXE=OFF > > -DGMX_FFT_LIBRARY=fftw3 -DCUDA_TOOLKIT_ROOT_DIR=/mnt/shared/cuda8* > > > > Thank you! > > Shayna > > > > > > -- > > > > > > Shayna Hilburg > > Doctoral Candidate > > Massachusetts Institute of Technology > > Department of Materials Science and Engineering > > Program in Polymers and Soft Matter > > Alexander-Katz <http://soft-materials.scripts.mit.edu/www/> Group > > -- > > 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.