[gmx-users] help with mpirun and system exploding during heating

[fabracht sdf]

I finallly managed to compile gromacs with mpi support, thanks to this
mailing list, but i encountered some problems during my heating process.
I typed the command grompp -np 4 ....
and then mpirun -np 4 mdrun -...
that work out just fine for my minimization, but my heating well i think it
all collapsed. the warning comes out like this.
This first line is the end of many others that look almost the same.
Well, I am new at doing parallel runs, but I didn't use to have this type of
problem when i used mdrun without parallel support.
I would like, if possible, some advice on the problem.
Thank you in advance.
Fabrício Bracht

   2780   2782   86.4    0.1251
10293535107740740517837563833443348857967447872767677507395291864535498202923000697921266631802318051677748694356690233134327724315919817320285963619926665436209667405260044702144728804850275940332715881909506291349877903079274820737742355599362145056132495305476834829176742035319916407745130558128128.0000
0.1250
step 0
Warning: 1-4 interaction between 1 and 8 at distance
43885648070156953668679170455683956179476920623456280845667077863696278941602310820546250146687554479097819048903759400566246209207791071928566884060437161360627600451028963901489648585765463696505095004653577791267904813562400454512943804592192332319886212529061114941178128342988027402519363840901120.000
which is larger than the 1-4 table size 1.000 nm
These are ignored for the rest of the simulation
This usually means your system is exploding,
if not, you should increase table-extension in your mdp file

-------------------------------------------------------
Program mdrun, VERSION 3.3.2
Source code file: nsgrid.c, line: 220

Fatal error:
Number of grid cells is zero. Probably the system and box collapsed.

-------------------------------------------------------

"I'd Be Water If I Could" (Red Hot Chili Peppers)

Error on node 0, will try to stop all the nodes
Halting parallel program mdrun on CPU 0 out of 4

-------------------------------------------------------
Program mdrun, VERSION 3.3.2
Source code file: nsgrid.c, line: 220

Fatal error:
Number of grid cells is zero. Probably the system and box collapsed.

-------------------------------------------------------

"I'd Be Water If I Could" (Red Hot Chili Peppers)

Error on node 2, will try to stop all the nodes
Halting parallel program mdrun on CPU 2 out of 4

-------------------------------------------------------
Program mdrun, VERSION 3.3.2
Source code file: nsgrid.c, line: 220

Fatal error:
Number of grid cells is zero. Probably the system and box collapsed.

-------------------------------------------------------

"I'd Be Water If I Could" (Red Hot Chili Peppers)

Error on node 1, will try to stop all the nodes
Halting parallel program mdrun on CPU 1 out of 4

-------------------------------------------------------
Program mdrun, VERSION 3.3.2
Source code file: nsgrid.c, line: 220

Fatal error:
Number of grid cells is zero. Probably the system and box collapsed.

-------------------------------------------------------

"I'd Be Water If I Could" (Red Hot Chili Peppers)


gcq#257: "I'd Be Water If I Could" (Red Hot Chili Peppers)

Error on node 3, will try to stop all the nodes
Halting parallel program mdrun on CPU 3 out of 4

gcq#257: "I'd Be Water If I Could" (Red Hot Chili Peppers)


gcq#257: "I'd Be Water If I Could" (Red Hot Chili Peppers)


gcq#257: "I'd Be Water If I Could" (Red Hot Chili Peppers)

-----------------------------------------------------------------------------
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 6888 failed on node n0 (127.0.0.1) with exit status 1.
-----------------------------------------------------------------------------
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