[gmx-users] Parallel run error

Raj Badhan r.k.badhan at stud.man.ac.uk
Mon Oct 27 17:21:01 CET 2003

Dear GMX Users
I have a problem that I hope someone can help me out with.
We are running a double precision copy of gromacs (the latest 
release) on an Irix 64 processor high performance computer 
through the university.
When I run my first energy minimisation on my protein, MPIRUN 
returns a code 255 error, and other times we get a code 11 error 
just before mdrun beings the energy minimisation procedure.
We just want know whether this has happened before to anyone, 
as I recall reading somewhere that there can be problems running 
this in parallel (version 3.1.4).
Looking forward to some useful comments!
Kind regards
Mr Raj Badhan
School of Pharmacy and Pharmacetical Science
The University of Manchester
Manchester, UK.

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