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 ( 127.0.0.1 <http://127.0.0.1>) 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
together.
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
Beniamino
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