AMBER Archive (2001)

Subject: GIBBS error

From: kiyean.nam_at_pharma.Novartis.com
Date: Wed Mar 21 2001 - 16:02:35 CST

Dear All,

I am trying to run gibbs with idifrg=1 and iewald=1.
On the first atempt to run gibbs, I got a following error message

REAL ARRAY OVERFLOW!
MAXREAL IS 1500000 NEED AT LEAST 5407034 REAL WORDS

So, I change the memmax (originally 3,000,000) to large enough number like
15,000,000.
Then recompiled the gibbs and tried to run again, but I keep getting
"Segmentation fault (core dumped)" error.

Is there anything else I am not aware of to address this problem?

Any comment will be welcome.

Thank you.

Kiyean Nam