v3.3 beta errors was [gmx-users] Scaling on SGI Altix 3700 Bx2

[Dallas B. Warren]

OK, have gotten one of the latest CVS versions (3.3_beta_20050202)
installed onto the SGI Altix system.  Just tried to run it, using all
exactly the same commands and starting files.  No go.

This is the error that grompp throws up if I use the -e flag.

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Program grompp, VERSION 3.3_beta_20050202
Source code file: enxio.c, line: 358

Fatal error:
Could not find energy term named 'Pcoupl-Mu-XX'
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And this is what mdrun gives.

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Program mdrun, VERSION 3.3_beta_20050202
Source code file: nsgrid.c, line: 220

Fatal error:
Number of grid cells is zero. Probably the system and box collapsed.

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Any suggestions/ideas?

Catch ya,

Dr. Dallas Warren
Lecturer
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9073
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When the only tool you own is a hammer, every problem begins to resemble
a nail.