[gmx-users] Parallel mdrun error

Tivadar Orban t.orban at csuohio.edu
Thu Apr 22 22:42:01 CEST 2004


During mdrun run at step 52880 I've got the following error.
step 52880, remaining runtime:   242 s

step 52890, remaining runtime:   242 s
Fatal error: Can not read/write topologies to file type trr
One of the processes started by mpirun has exited with a nonzero exit
code.  This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

PID 10072 failed on node n0 ( with exit status 32767.
The simulation contains one SEP residue (phosphorylated serine) in solvent.
The force field used is the one modified for phosphoserine available on
GROMACS site (ffG43a1p) at the contributed force field section. The force
field was uploaded by Graham Smith.

Any ideas?

Tivadar, Orban 

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