[gmx-users] That darned nsgrid.c error

[David L. Bostick]

Hi,

The administrators for the cluster I use upgraded mpich-gm.  So now, I have
to recompile gromacs.  I started from scratch with fftw and the gmx
distribution.  Everything compiles successfully, but upon running a test
system on 4 processors using mpi, I get that "catch-all" error ...

Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, LINE 210]
Error on node 0, will try to stop all the nodes
[0] MPI Abort by user Aborting program !
[0] Aborting program!
Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, LINE 210]
Error on node 1, will try to stop all the nodes
[1] MPI Abort by user Aborting program !
[1] Aborting program!

I've had this type of error happen for all sorts of reasons ... from
needing to recompile the fftw libraries to having a poorly relaxed system.
The test system ran before the upgrade very smoothly.  It also runs
successfully on a single processor and on other machines (an IBM SP on
multiple processors for example)... it is well relaxed. Can someone list
the reasons that this particular error could occur for me?  I would really
appreciate your help.

Thanks in advance,
David

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David Bostick					Office: 262 Venable Hall
Dept. of Physics and Astronomy			Phone:  (919)962-0165
Program in Molecular and Cellular Biophysics
UNC-Chapel Hill
CB #3255 Phillips Hall				dbostick at physics.unc.edu
Chapel Hill, NC 27599	           		http://www.unc.edu/~dbostick
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