[gmx-users] error in linux rpm

Wolfgang Zocher WZocher at t-online.de
Thu Apr 25 22:58:59 CEST 2002


Hi all,

I downloaded gromacs-3.1.3-1.i386.rpm this afternoon. But running the
demo results in an error in mdrun_em-step:


Getting Loaded...
Reading file cpeptide_em.tpr, VERSION 3.1.3 (single precision)
Reading file cpeptide_em.tpr, VERSION 3.1.3 (single precision)
Loaded with Money

Steepest Descents:
   Tolerance         =  1.00000e+03
   Number of steps   =          100
Step=    0, Dmax= 1.0e-02 nm, Epot=  3.40282e+38 Fmax=         inf, atom= 1
Fatal error: ci = -2147483616 should be in 0 .. 95 [FILE nsgrid.c, LINE 210]


What is wrong in the rpm??

Thanks to all,

Wolfgang Zocher




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