AMBER Archive (2005)

Subject: Re: AMBER: problem runing parallel (REM) on tru64

From: Sergio E. Wong (swon9_at_itsa.ucsf.edu)
Date: Sat Jan 22 2005 - 14:44:23 CST


You're right!! I modified the config.h file to include
AMBERBUILDFLAGS= -DREM

and now it works... :) thanks..

On Sat, 22 Jan 2005, David A. Case wrote:

> On Fri, Jan 21, 2005, Sergio E. Wong wrote:
> >
> > make AMBERBUILDFLAGS='-DREM' parallel
> >
> > and it all seemd to compile fine.
> >
> > I get the following error message:
> >
> > mdfil: Error unknown flag: -rem
>
> It looks like the AMBERBUILDFLAGS is not getting propagated to the
> lower-level makefiles. Look at the compile lines when you compile, and make
> sure that "-DREM" is actually there. If not, modify the AMBERBUILDFLAGS
> in in config.h, rather than setting it on the command line.
>
> > $
> >
> > usage: sander [-O] -i mdin -o mdout -p prmtop -c inpcrd -r restrt
> > [-ref refc -x mdcrd -v mdvel -e mden -idip inpdip -rdip
>
> The above message means for sure that either you did not compile with -DREM
> set, or you are not running the executable that resulted from that
> compilation. Look at line 241 of mdfil.f.
>
> ...good luck...dac
>
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