Dear Amber users,
I'm using amber7 mpi and got a problem when doing minimisation. The last line of output file is:
| PLEVEL = 1: runmd parallelization, no EKCMR
Exceeding lastist in get_istack
lastist = 1000000
top_stk= 975760
isize = 146364
request= 1122124
Increase MAX_ISTACK in sizes.h and recompile
The job is keep running but the output file doesn't change at all even until 30 hrs. What's wrong? This is my input file:
# Minimization of lpm63oct with explicit solvent
&cntrl
imin=1, ntpr=50, ntb=1, igb=0, maxcyc=500, ncyc=100,
&end
END
END
Anybody can help me to solve this problem?
Thank you,
Bimo
ITB-Stuttgart
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Received on Thu Aug 01 2002 - 03:50:32 PDT
