[gmx-users] about parallel run

Yunierkis Perez Castillo yunierkis at uclv.edu.cu
Tue Jan 15 00:37:51 CET 2008


Hi all, I'm new to gromacs. I have setup a protein MD simulation in a
cluster, I'm using 6 computers with 2 CPUs each one.
After gromacs begun running I had 12 trajectory files in the folder the
output is written:

md.trr
#md.trr.1#
#md.trr.2#
................
#md.trr.11#

It seems like the trajectory is replicated by each CPU the simulation is
running on.
All files has the same size, and grows  simultaneously as the simulation
advances.
Is that a normal thing??
Can I delete the #* files??

Thanks in advance
Yunierkis


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