What is the hardware you are running this on? Can you share a log file, please? -- Szilárd
On Mon, Apr 22, 2019 at 9:24 AM Cameron Fletcher (CF) < circumf...@disroot.org> wrote: > Hello, > > I have installed gromacs 2019.1 on CentOS 7.6 . > While running regressions tests 2019.1 certain tests are failing with > errors. > > I have attached list of some failed tests. > > > Since I am using gcc compilers and openmpi from openhpc repositories > the below command was used for cmake. > > cmake .. > -DCMAKE_C_COMPILER=/opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc > -DCMAKE_CXX_COMPILER=/opt/ohpc/pub/compiler/gcc/7.3.0/bin/c++ > -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=on -DGMX_GPU=on -DGMX_USE_OPENCL=on > > cmake version: 3.13.4 > gcc version: 7.3.0 > openmpi3 version: 3.1.0 > > > What should I be doing further for more troubleshooting. > > > -- > CF > > -- > 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.