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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