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

From: David A. Case <>
Date: Sat, 22 Jan 2005 10:25:55 -0800

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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Received on Sat Jan 22 2005 - 18:53:00 PST
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