AMBER Archive (2001)

Subject: GIBBS on Cray

From: Alexander Issanin (issanin_at_mail.uni-greifswald.de)
Date: Tue Nov 20 2001 - 01:24:31 CST

Dear Amber users and authors,

I compiled SANDER and GIBBS modules from Amber 5.0 on Cray T3E
supercomputer using appropriate machine-file. There was no error
messages after compilation, SANDER works perfectly, but GIBBS displays
the message: "MPI version of gibbs is currently disabled". Is it a
problem of Amber 5.0 only? Should we upgrade our software to version 6.0
to get GIBBS running? If so how can we do it and how much does it cost?

Regards,
Alex Issanin.