Re: [AMBER] How to compile amber12 in AIX UNIX?

From: Mengyuan Zhu <mzhu6.student.gsu.edu>
Date: Fri, 6 Dec 2013 05:17:46 +0000

Thanks. gmake works.

Best regards,

Mengyuan Zhu

From: Daniel Roe<mailto:daniel.r.roe.gmail.com>
Sent: ?Tuesday?, ?December? ?3?, ?2013 ?11?:?28? ?PM
To: amber.ambermd.org<mailto:amber.ambermd.org>

Hi,

I don't think a lot of developers have access to or use AIX so it doesn't
get tested as much as other platforms. I think you need to try and use GNU
make instead of AIX make. I don't have much experience with AIX myself, but
is there a 'gmake' or something similar on your system?

-Dan

PS - If you do have gmake I would recommend starting from a fresh unpack of
Amber/AmberTools.



On Tue, Dec 3, 2013 at 8:05 PM, Mengyuan Zhu <mzhu6.student.gsu.edu> wrote:

> I'm sorry I forgot your second question.
>
> -bash-3.2$ make -v
> make: Not a recognized flag: v
> usage: make [-einqrst] [-k|-S] [-d[A|adg[1|2]mstv]] [-D variable] [-f
> makefile] [-j [jobs]] [variable=value ...] [target ...]
>
> -bash-3.2$ make --version
> make: Not a recognized flag: -
> usage: make [-einqrst] [-k|-S] [-d[A|adg[1|2]mstv]] [-D variable] [-f
> makefile] [-j [jobs]] [variable=value ...] [target ...]
>
> -bash-3.2$
>
> Best regards,
>
> Mengyuan Zhu
>
> From: case<mailto:case.biomaps.rutgers.edu>
> Sent: ?Tuesday?, ?December? ?3?, ?2013 ?9?:?23? ?PM
> To: amber.ambermd.org<mailto:amber.ambermd.org>
>
> On Tue, Dec 03, 2013, Mengyuan Zhu wrote:
> >
> > gfortran -DBINTRAJ -c -ffree-form -O3
> -I/rc/home/wang/mzhu6/amber12/include -I/rc/home/wang/mzhu6/amber12/include
> -o pubfft.o pubfft.c
> > pubfft.c:6:24: fatal error: ../f2c/f2c.h: No such file or directory
>
> oooh! This is weird. What options did you give to configure?
>
> Try the following: in $AMBERHOME/AmberTools/src/ptraj, type
> "mv pubfft.c pubfft.c~". Then try compiling again. I think that pubfft.c
> is a leftover from a long time ago, and should never be needed. It
> certainly
> should not be compiled using gfortran!
>
> Can you also see what the output is from typing "make --version"? I must
> admit I can't see how the Makefile in ptraj would lead to the command you
> list
> above, but I hope getting rid of pubfft.c will help.
>
> ...dac
>
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Thu Dec 05 2013 - 21:30:03 PST
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