AMBER: Problems in Amber MPI version (64 bits machine)

From: Haijun Yang <hyang.clarku.edu>
Date: Tue, 22 Jun 2004 17:57:07 -0400

Hi!
I just compiled Amber MPI version for 64 bits machine.

I can run the benchmark of the amber package.
But I have problems to run with a restart file, I always have the message:
" vlimit exceeded for step 0; vmax = 134.558885 "
Also it works fine for minmumization of the same PDB.

But I can run with the exact restart file using single CPU at the same 64
bits machine, and it works fine. Also I can run with MPI version at other
machine. (32 bits)

I have no clue of what is going on.
Does anybody have the similar experience?

Thanks.

Best,

Haijun Yang

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jun 22 2004 - 23:29:47 PDT
Custom Search