Difference between revisions of "List of output files for PATHSAMPLE"

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import>Mp466
import>Mp466
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path.info.data.<n> - min.TS.Min with frequencies, and structures
 
path.info.data.<n> - min.TS.Min with frequencies, and structures
  +
  +
nodes.info - processor addresses for a distributed memory machine
   
 
'''Output'''
 
'''Output'''
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<file>.fastest -- data for the fastest connection of the database
 
<file>.fastest -- data for the fastest connection of the database
   
 
<file>.regrouped -- ??
points.min, points.ts -- unformatted direct access file versions of min.data and ts.data
 
   
  +
<file>.retained -- ??
'''Misc'''
 
   
  +
<file>.fastest -- ??
   
  +
<file>.removed -- ??
min.A.retained
 
   
 
points.min, points.ts -- unformatted direct access file versions of min.data and ts.data
min.B.retained
 
   
 
'''Misc'''
ts.data.retained
 
 
points.ts.retained
 
 
 
min.A.removed
 
 
min.B.removed
 
 
ts.data.removed
 
 
points.ts.removed
 
 
ts.remove
 
 
 
min.A.regrouped
 
 
min.B.regrouped
 
 
ts.data.regrouped
 
 
points.ts.regrouped
 
 
min.A.fastest
 
 
min.A
 
 
min.B.fastest
 
 
min.B
 
   
 
ts.attempts
 
ts.attempts

Revision as of 15:23, 17 July 2008

under construction

Structures

start.<n> input coordinate files for OPTIM generated via pathsample

finish.<n> input coordinate files for OPTIM generated via pathsample

Input

pathdath - file for pathsample

odata.new.<n> - files generated by pathsample for OPTIM

min.data.info.<n> - coordinate input files for OPTIM from PATHSAMPLE

path.info.data.<n> - min.TS.Min with frequencies, and structures

nodes.info - processor addresses for a distributed memory machine

Output

OPTIM.connect.<n> - output from OPTIM runs

min.A, min.B and min.data -- A, B and intermediate minima, respectively

ts.data -- transition states

<file>.fastest -- data for the fastest connection of the database

<file>.regrouped -- ??

<file>.retained -- ??

<file>.fastest -- ??

<file>.removed -- ??

points.min, points.ts -- unformatted direct access file versions of min.data and ts.data

Misc

ts.attempts

commit.data

pairs.data

min.done


--mp466 10:31, 8 July 2008 (BST)