What OS are you using? There are some known issues with the Ubuntu 18.04 + glibc 2.27 which could explain the errors. -- Szilárd
On Wed, Apr 17, 2019 at 2:32 AM Alex <nedoma...@gmail.com> wrote: > Okay, more interesting things are happening. > At the end of 'make' I get a bunch of things like > > .................. nbnxn_cuda.cu(373): warning: variable "dim_grid" was > declared but never referenced > -bash: syntax error near unexpected token `373' > > More errors during 'make check' right after " Building NVCC (Device) object > > src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_cuda/libgromacs_generated_nbnxn_cuda.cu.o" > then continues as if nothing happened. > > Finally, fails test #42 with what appears to be sarcasm: > "... > Thanx for Using GROMACS - Have a Nice Day > > Mdrun cannot use the requested (or automatic) number of ranks, retrying > with 8. > > Abnormal return value for ' gmx mdrun -nb cpu -notunepme >mdrun.out > 2>&1' was 1 > Retrying mdrun with better settings... > > Abnormal return value for ' gmx mdrun -ntmpi 1 -notunepme >mdrun.out > 2>&1' was -1 > FAILED. Check mdrun.out, md.log file(s) in distance_restraints for > distance_restraints > > Abnormal return value for ' gmx mdrun -ntmpi 6 -notunepme >mdrun.out > 2>&1' was 1 > Retrying mdrun with better settings... > > Abnormal return value for ' gmx mdrun -notunepme >mdrun.out 2>&1' was > -1 > FAILED. Check mdrun.out, md.log file(s) in octahedron for octahedron > Re-running orientation-restraints using CPU-based PME > > Abnormal return value for ' gmx mdrun -ntmpi 1 -pme cpu -notunepme > >mdrun.out 2>&1' was -1 > FAILED. Check mdrun.out, md.log file(s) in orientation-restraints/pme-cpu > for orientation-restraints-pme-cpu > Re-running pull_geometry_angle using CPU-based PME > Re-running pull_geometry_angle-axis using CPU-based PME > Re-running pull_geometry_dihedral using CPU-based PME > 3 out of 55 complex tests FAILED" > > Then finally quits for good. Your suggestions will be highly appreciated. > > Thank you, > > Alex > -- > 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.