AMBER Archive (2004)

Subject: Re: AMBER: Weird compiling problem in Amber 8

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Mon Jul 19 2004 - 12:08:54 CDT


On Sun, 18 Jul 2004 echanco_at_uci.edu wrote:

> I'm trying to compile amber 8 on fedora 2 using the intel 8.0 fortran
> compiler. I've run into a weird installation problem that prevents me from
> installing an important part of the amber 8 package.
> The bottom part of the error message goes something like this when I do
> make serial (I'm not running a parallel system yet).:
>
> cd pbsa; make install
> make[1]: Entering directory `/Downloads/Amber8/amber8/src/pbsa'
> cpp -traditional -P -I/Downloads/Amber8/amber8/src/include pb_fdfrc.f >
> _pb_fdfrc.f
> ifort -c -w95 -mp1 -ip -O3 -FR -o pb_fdfrc.o _pb_fdfrc.f
> fortcom: Error: _pb_fdfrc.f, line 435: This name does not have a type, and
> must have an explicit type. [SRFARC]
> iarc = srfarc(iatm)
> ................^
> fortcom: Error: _pb_fdfrc.f, line 443: The shapes of the array expressions
> do not conform. [DFM]
> dfm = dum*mvec; dfn = dum*nvec
> .........^
> fortcom: Error: _pb_fdfrc.f, line 443: The shapes of the array expressions
> do not conform. [DFN]
> dfm = dum*mvec; dfn = dum*nvec
> .........................^
> compilation aborted for _pb_fdfrc.f (code 1)
> make[1]: *** [pb_fdfrc.o] Error 1
> make[1]: Leaving directory `/Downloads/Amber8/amber8/src/pbsa'
> make: *** [serial] Error 2
> ++++++++++++++++++++++++++++++++++++++++++++

Weird is apt.
There has never been a source file pb_fdfrc.f.
Variables srfarc and dfm do not exist in any pbsa source file.
My guess is that pb_fdfrc.f should be pb_force.f.
It appears that your files have been mangled.
Since src/pbsa/Makefile has been mangled, it may not be the preprocessor
that has run amok. Reinstall all the files in src/pbsa and if the problem
persists then send verbose details on the origin of and your installation
of Amber8.

Scott Brozell

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