[gmx-users] Is there any chance to concatenate (fast) more, than 1000 energy files....
sgaray at fbcb.unl.edu.ar
Tue Jan 22 22:32:06 CET 2008
Dear Diego I'm not sure whether I am understanding well what you suggest
me. The fact is that I have 1000 energy files to concatenate in one PC.
My bash script takes the fist two files and concatenates them to produce
a temporary output file (using eneconv), after that it concatenates the
last temporary file with the next one to produce a new temp file, and so
on. Thank you Diego Enry wrote: I think it would take more time to
transfer files than doing it on a single machine, but here is what I
suggest: Assuming you have a cluster of 5 nodes you may concatenate by
parts than put it all together, something like this: transfer .edr files
to /tmp/ of each node than eneconv the fragments node1 fragments 1-199
node2 fragments 200-399 node3 fragments 400-599 node4 fragments 600-799
node5 fragments 800-1000 transfer all back to your $HOME and eneconv all
-- Diego Enry B. Gomes Laboratório de Modelagem e Dinamica Molecular
Universidade Federal do Rio de Janeiro - Brasil.
Alberto Sergio Garay
Practica Profesional - Departamente de Física
Facultad de Bioquímica Y Cs. Biológicas
Santa Fe - 3000 - Ciudad Universitaria
Santa Fe - Argentina
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