[gmx-users] 2019.2 build warnings

Alex nedomacho at gmail.com
Fri Apr 19 03:01:48 CEST 2019


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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