[gmx-users] Parallel run error
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!
Mr Raj Badhan
School of Pharmacy and Pharmacetical Science
The University of Manchester
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