AMBER: EVB Calculations

From: Jimmy Heimdal <>
Date: Mon, 22 Oct 2007 08:30:48 +0200


I am trying to run EVB calculations with amber.
The test suite calculations all pass.
But when i try to run my system ~19893 atoms, I get the following error

ERROR: allocation problem for dia_mv(n)% t2_kl

Moreover, if I reduce the size of the system it works (~5000 atoms).
Is there any limitations to the system size when using EVB or do you
think that there
is something else wrong with my system?

Best Regards
Jimmy Heimdal
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Oct 24 2007 - 06:07:26 PDT
Custom Search