AMBER Archive (2007)

Subject: AMBER: EVB Calculations

From: Jimmy Heimdal (Jimmy.Heimdal_at_teokem.lu.se)
Date: Mon Oct 22 2007 - 01:30:48 CDT

Hi

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
message.

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
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