[gmx-users] 2019.2 build warnings

Alex nedomacho at gmail.com
Wed Apr 17 02:31:47 CEST 2019


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


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