Dear Sir,
I am running SANDER in modi4.ncsa.uiuc.edu, a SGI cluster. When I tried
to run MPI -4 (4 cpu parallel computing) job, I found the error message
in the output file (after running a couple of picoseconds the job
crashed). But when I run 2 cpu parallel job, it is okay.
Best,
Eddy
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4. RESULTS
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APPROXIMATING switch and d/dx switch using CUBIC SPLINE INTERPOLATION
using 5000.0 points per unit in tabled values
TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
| CHECK switch(x): max rel err = 0.2088E-14 at 2.598900
| CHECK d/dx switch(x): max rel err = 0.7671E-11 at 2.757160
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| Local SIZE OF NONBOND LIST = 1271168
| TOTAL SIZE OF NONBOND LIST = 3762323
***** Processor 0
***** System must be very inhomogeneous.
***** Readjusting recip sizes.
In this slab, Atoms found: 7327 Allocated: 7075
Received on Fri Mar 14 2003 - 06:53:01 PST
