AMBER Archive (2003)

Subject: Re: AMBER: Amber parallelisation

From: David A. Case (case_at_scripps.edu)
Date: Fri Aug 01 2003 - 10:18:17 CDT

On Fri, Aug 01, 2003, arun prasad wrote:
> when i tried to run a test sander program i get these
> errors
> /home/programs/amber6/test make test.sander .First few
> tests pass sucessfully .

> Then i get the following
> error
> Unit 5 Error on OPEN: single_w.in

This is an old version of sander, and the test is for the "CMC" (Coordinate
Monte Carlo) portion, which I imagine is rarely used. It is even possible
that these don't work in parallel, although error message above should be
straightforward to track down: at the time of the test, is the file
single_w.in actually in the directory the program is running in? You need
to study the log of the test results carefully.

Unless you are actually planning to use CMC, you could comment out this test
and run the rest....

..good luck...dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
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