Yes I did make clean, and the tests passed, except for a couple of failure to allocate memory. I think those are safe to ignore.
I managed to recompile with existing tree for both cuda serial and cuda MPI.
Thank you again.
--Farid
________________________________________
From: Ross Walker [ross.rosswalker.co.uk]
Sent: Friday, August 19, 2011 1:02 PM
To: 'AMBER Mailing List'
Subject: Re: [AMBER] Major GPU Update Released
> Just to be sure, I didn't recompile everything, just the cuda part.
> That means I didn't do the first two lines below (tar xzvj
> Amber11.tar.bz2; tar xzvj AmberTools-1.5.tar.bz2). This should be
> alright?
In principal yes. At least if it worked for you and the cuda test cases pass
you should be good. The degrees of freedom are pretty high though so I can't
confirm that applying such a large patch to an existing tree will always
work but it is at least designed to.
I assume you did 'make clean' in $AMBERHOME/src and
$AMBERHOME/AmberTools/src before compiling pmemd.cuda afresh?
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Fri Aug 19 2011 - 11:30:06 PDT
