Hi, You really should update to 2016.4, but if you for som reason can not, you can pass the target CUDA architectures to CMake; see GMX_CUDA_TARGET_SM documented here: http://manual.gromacs.org/documentation/2016.4/install-guide/index.html#cuda-gpu-acceleration
-- Szilárd On Tue, Jan 23, 2018 at 8:50 AM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > CUDA 9 was not supported before GROMACS 2016.4, so you can either use a > newer GROMACS or an older CUDA.. Unfortunately, in that version, NVIDIA > removed support for older GPUs, which GROMACS supported with such > compilation flags. > > Mark > > > On Tue, Jan 23, 2018 at 12:48 AM Kevin Chen <fch6...@gmail.com> wrote: > > > Dear Gromacs Users, > > > > I got the following error while building V2016.3 using CudaV9.0. Anybody > > has > > a quick fix for it? > > > > > > ============================================================ > ================ > > ====== > > "nvcc fatal : Unsupported gpu architecture 'compute_20' > > nvcc fatal : Unsupported gpu architecture 'compute_20' > > CMake Error at > > libgromacs_generated_nbnxn_cuda_data_mgmt.cu.o.Release.cmake:218 > > (message):" > > > > > > ============================================================ > ================ > > ====== > > > > Modules used for building: > > > > > > ============================================================ > ================ > > ===== > > Currently Loaded Modules: > > 1) intel/17.0.4 3) cmake/3.7.1 > > 2) impi/17.0.3 4) cuda/9.0 (g) > > > > > > ============================================================ > ================ > > ==== > > > > > > Thanks in advance! > > > > Kevin > > > > > > > > -- > > 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.