AMBER Archive (2005)

Subject: RE: AMBER: istart2

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Jan 10 2005 - 11:18:32 CST

 
> Too many atoms for 16 bit pairlist -
> Recompile without ISTAR2
>
> *I changed ISTAR2 to ISTAR4 in machine file and recompiled
> but it still
> shows the same error,i dont know where the problem lies.any
> suggestions
> and has anyone encountered such a problem

I am guessing that you didn't do "make clean" before recompiling. After
changing the machine file (make sure you edit the correct file. The one
$AMBEROME/src/MACHINE is linked to). Then cd $AMBERHOME/src.

make clean
make

This should then recompile everything. Check the compiler command lines that
are echoed to the screen to ensure -DISTAR4 is displayed instead of
-DISTAR2.

I suspect that this problem is the same problem as you are getting on your 4
processor cluster. In parallel the error message is probably just getting
lost somewhere.

All the best
Ross

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|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
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