[gmx-users] gromcas parallel doesn't work

Beniamino Sciacca superbenji83 at gmail.com
Mon Jun 5 10:43:33 CEST 2006

Oops... I've another new problem, that there wasn't before....

Program mdrun_d, VERSION 3.3.1
Source code file: pullinit.c, line: 244

Fatal error:
Can not do constraint force calculation in parallel!


"Exactly" (Pulp Fiction)

Error on node 0, will try to stop all the nodes
Halting parallel program mdrun_d on CPU 0 out of 2

gcq#96: "Exactly" (Pulp Fiction)

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 7593 failed on node n0 ( <>) with exit 
status 32767.

now i use mpirun -c 2, otherwise it uses only one processor. It seems 
that with constraint forces it's impossible to work on two processes 
Before to have all these problem I didn't use mpirun, I didn't use 
grompp -np 2.....
Before infact I had only one process on two processors.....
what can I do?
Thanks one more time

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