AMBER Archive (2004)

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

From: Haijun Yang (hyang_at_clarku.edu)
Date: Tue Jun 22 2004 - 16:57:07 CDT

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

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