[gmx-users] 2019.2 build warnings

[Mark Abraham]

Hi,

Your experience looks unusual. What does gmx -version report?

Mark

On Fri., 19 Apr. 2019, 03:02 Alex, <nedomacho at 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
> --
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