AMBER Archive (2004)

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

From: fangyu liang (fliang_at_usc.edu)
Date: Mon Jul 19 2004 - 01:30:22 CDT

Luigi,

I use SUSE 9.1 and intel Fortran compiler for Linux, and I have no problem at all to install Amber 8. Both those softwares are free. Try http://www.linuxiso.org for SUSE 9.1. Good luck!

Sincerely,

Fangyu

----- Original Message -----
From: echanco_at_uci.edu
Date: Sunday, July 18, 2004 10:51 pm
Subject: AMBER: Weird compiling problem in Amber 8

> Hi!
>
> 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 mm_pbsa; make install
> make[1]: Entering directory `/Downloads/Amber8/amber8/src/mm_pbsa'
> ifort -o make_crd_hg make_crd_hg.o ../lib/amopen.o ../lib/mexit.o
> gcc -O2 -o molsurf molsurf.o -lm
> mv make_crd_hg molsurf ../../exe
> cp mm_pbsa.pl mm_pbsa_statistics.pl ../../exe
> make[1]: Leaving directory `/Downloads/Amber8/amber8/src/mm_pbsa'
> 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
> ++++++++++++++++++++++++++++++++++++++++++++
>
> When I ignore the error messages and continue compiling, I get this
> message when testing the compilation and the test ends. Everything else up
> to this point is a PASS.
>
> cd cnstph; ./Run.cnstph
> ./Run.cnstph: Program error
> make: *** [test.sander.no_lmod] Error 1
>
>
> Any suggestions or comments? I'm pretty new with linux and amber in
> general, so if I missed something pretty obvious, don't hesitate to tell
> me.
>
> Thanks
> Luigi
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