Hi, Your experience looks unusual. What does gmx -version report?
Mark On Fri., 19 Apr. 2019, 03:02 Alex, <nedoma...@gmail.com> wrote: > Can someone please confirm that my emails indeed reach this board? :) > Thank you. > > On 4/16/2019 6:31 PM, Alex wrote: > > Okay, more interesting things are happening. > > At the end of 'make' I get a bunch of things like > > > > .................. nbnxn_cuda.cu <http://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.
