AMBER Archive (2004)

Subject: AMBER: Resizing sizes.h and recompiling problem!

From: Marco Aurelio Correia Preto (
Date: Sat Mar 13 2004 - 08:38:56 CST

Hi to all amber users:
I'm presently trying to compile Amber 6 (I know its an old versin, but I'm trying to pursuade my supervisors to purchase the new amber 7) on a PIV descktop pc with RH 9 Linux.
I run the make install script witout any problems, but when tryed to run the make test.all (or test.sander for example) I got an error in the dhfr test; I looked at the output file an the error message was:
" Static Integer Memory requirement of: 2392538 exceeds MAXINT of 2000000
| Memory Use Allocated Used
| Real 2500000 1355340
| Hollerith 600000 144562
| Integer 2000000 2392538
| Max Nonbonded Pairs:50000000
  ** Redimension and recompile"
I looked at the mailing list archive and got a configuration for very large systems, with a MAXINT of 20000000, and I think it will good for systems as large as 100 000 atoms.
The problem is that after recompiling (with the new sizes.h file) the problem percists!!!
I get the exactly sdame message
Every thought is very wellcomed!!!
Cheers to all
Marco Preto
Ph. D. student
FCUP - Porto

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