From: jfgaff_at_ncsu.edu
Date: Thu Aug 02 2007 - 12:23:36 CDT
Hello all,
Would anyone have any idea as to why a job would stall after calling the
configuration file when running namd64 on more then 16 processors? I use
em64t processors and have up to 64 available so this is quite an
unexpected stall. The job stalls after the TCL: Minimizing for 300 steps
line. Thank you for any possible info.
Cheers!
John Gaff
Info: CREATING 3876 COMPUTE OBJECTS
Info: Entering startup phase 4 with 8725 kB of memory in use.
Info: PME using 8 and 8 processors for FFT and reciprocal sum.
Info: PME GRID LOCATIONS: 0 1 2 3 4 5 6 7
Info: PME TRANS LOCATIONS: 0 1 2 3 4 5 6 7
Info: Optimizing 4 FFT steps. 1... 2... 3... 4... Done.
Info: Entering startup phase 5 with 8732 kB of memory in use.
Info: Entering startup phase 6 with 6936 kB of memory in use.
Measuring processor speeds... Done.
Info: Entering startup phase 7 with 6936 kB of memory in use.
Info: CREATING 3876 COMPUTE OBJECTS
Info: NONBONDED TABLE R-SQUARED SPACING: 0.0625
Info: NONBONDED TABLE SIZE: 769 POINTS
Info: Entering startup phase 8 with 8372 kB of memory in use.
Info: Finished startup with 8372 kB of memory in use.
TCL: Minimizing for 300 steps
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