AMBER Archive (2002)

Subject: problem with amber7 mpi

From: Bimo Ario Tejo (bimo7_at_linuxmail.org)
Date: Thu Aug 01 2002 - 05:50:32 CDT

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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