Re: 4 sequential jobs work on laptops, but only first one works on supercomputer

From: JT (jtibbitt_at_odu.edu)
Date: Mon Apr 13 2009 - 21:59:23 CDT

Here is a little more information about the crash occurring during
minimization. Running using only single processor mode creates some
sort of memory leak. It writes an enormous amount of junk to the NAMD
output that looks like:

Info: Finished startup with 27120 kB of memory in use.
TCL: Minimizing for 2000 steps
ETITLE: TS BOND ANGLE DIHED
IMPRP
           ELECT VDW BOUNDARY MISC
KINETIC
           TOTAL TEMP TOTAL2 TOTAL3
TEMPAVG
        PRESSURE GPRESSURE VOLUME PRESSAVG
GPRESSAVG

ENERGY: 0 491.9037 99999999.9999 76.3226
8.5673
    -428179.8422 1346.5543 0.0000 0.0000
0.0000
   99999999.9999 0.0000 99999999.9999 99999999.9999
0.0000
   99999999.9999 99999999.9999 272212.3858 99999999.9999
99999999.9999

INITIAL STEP: 1e-06
GRADIENT TOLERANCE: nan
BRACKET: 0 nan nan nan nan
RESTARTING CONJUGATE GRADIENT ALGORITHM
INITIAL STEP: 5e-07
GRADIENT TOLERANCE: nan
BRACKET: 0 nan nan nan nan
RESTARTING CONJUGATE GRADIENT ALGORITHM
INITIAL STEP: 2.5e-07
GRADIENT TOLERANCE: nan
BRACKET: 0 nan nan nan nan
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