Amazing!, thank you very much for your very helpful (and fast!) answer.
Trying as you said it worked perfectly. Just a little thing I had to fix
further was that compiling sander with -DHAS_10_12, including your
correction, still gave an error message for short_ene.f (but it was, I
think, easily fixed following your advice, just adding "ten" to the "use
constants" statement at line 1003 of short_ene.f).
Thanks a lot again.
Jesús Angulo.
-----Mensaje original-----
De: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] En nombre de
David A. Case
Enviado el: martes, 06 de marzo de 2007 17:31
Para: amber.scripps.edu
Asunto: Re: AMBER: DHAS_10_12 compilation aborted for egb.f
On Tue, Mar 06, 2007, Jesus Angulo wrote:
> cpp -traditional -P -DHAS_10_12 egb.f > _egb.f
> ifort -c -w95 -mp1 -ip -O3 -FR -DHAS_10_12 -o egb.o _egb.f
> fortcom: Error: _egb.f, line 1237: This name does not have a type, and
must
> have an explicit type. [BSOL]
> f10 = bsol(-ic)*r10inv
> ---------------------^
> fortcom: Error: _egb.f, line 1238: This name does not have a type, and
must
> have an explicit type. [ASOL]
> f12 = asol(-ic)*r10inv*r2inv ---------------------^
> compilation aborted for _egb.f (code 1)
> make: *** [egb.o] Error 1
Change line 174 of egb.f from:
use parms, only: cn1,cn2
to
use parms, only: cn1,cn2,asol,bsol
Be sure to test (non-gb) energies carefully against the Amber 5 results.
...good luck...dac
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Dr. Jesús Angulo
............................................................................
...........................
Carbohydrate Group. Bio-Organic Department.
Instituto de Investigaciones Químicas (C.S.I.C)
Américo Vespucio, 49; 41092 – Sevilla, Spain
jesus.iiq.csic.es
Phone. +34 954489500 (Ext. 9609)
Fax +34 954460565
http://www.iiq.cartuja.csic.es/grupocarb/carbohidratos.htm
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Received on Wed Mar 07 2007 - 06:07:43 PST
