AMBER Archive (2002)

Subject: memory problem on gibbs

From: X. Tan (xjtan_at_u.washington.edu)
Date: Thu Feb 14 2002 - 18:24:55 CST

Hi, dear all,

I encountered the memory problem when running Gibbs. My system has about
52000 atoms. I'd like to do some FEP calculations, but when I run gibbs,
it exits with the following information:

                   READING MOLECULAR TOPOLOGY FILE (PPARM)
                             --------------------
                                DYNAMIC MEMORY
                                  ALLOCATED USED
                        INTEGER: 3750000 1618042
                            REAL: 1500000 3489760
                        CHARACTER: 125000 342506

 REAL USAGE > ALLOCATION

It is obvious that the memory is not enough, but I don't know how to
solve it. can anybody help me? Thanks a lot.

Xiaojian Tan