AMBER Archive (2007)

Subject: Re: AMBER: make test.parallel

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Thu Nov 08 2007 - 11:30:36 CST

--- "David A. Case" <case_at_scripps.edu> wrote:

> On Thu, Nov 08, 2007, Francesco Pietra wrote:
>
> > In connection with problems with DOCK6.1 I wanted to check the Linux
> parallel
> > installation of Amber9
> >
> > export DO_PARALLEL='mpirun -np 4'
> > cd $AMBERHOME/test
> > make test.parallel
> >
> > was OK
> >
> > Then, I had to repeat the test. This time distractedly I commanded "make
> clean"
> > before "make test.parallel", which clean resulted in:
> >
> > (find antechamber -name '*.out' -o -name '*.log' -o - name '*.lib' -o\
> -name
> > "*.dif" |\
> > while read dif ;\
> > do \
> > rm -f $dif ;\
> > done ;\
> > cd leap; rm -f *.out *.log *.dif *.lib
> > while read dif ;\
> > do \
> > rm -f $dif ;\
> > done ;\
> > rm -f TEST_FAILURES.diff
> > ----------
> > All tests PASSED according to screen observation, and top -i showed sander
> > working on all four nodes, though now there are no more files to check. Is
> it
> > possible to restore the original situation?
>
> It's not clear to me what the problem is. Can you define what you mean by
> "the original situation"?

Yes, I was unclear. I wanted to ask whether the "make" may have damaged the
program as to the capability of carrying out regular tests. If it simply
removed previous results from tests, I don't care. After that "make", the new
"make test.parallel" showed PASSED for all programs, as far as I could see from
the scree; TEST_FAILURES.diff (removed by that "make") was not produced
(perhaps it would be produced by test.serial, did not try)
Thanks
francesco

Typing "make clean" will indeed remove many dif
> files from previous tests, but you say that you subsequently did "make
> test.parallel" and everything PASSED.
>
> ...dac
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://mail.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu