AMBER Archive (2004)

Subject: Re: AMBER: A question on AMBER8 installation

From: Hwankyu Lee (leehk_at_umich.edu)
Date: Tue Oct 19 2004 - 23:12:20 CDT

Thanks for all the advice. I finally installed AMBER8.
The first problem was that my linux didn't have X development tool.
Second problem was that I used icc v8.1. When I installed X development
tool and used gcc and g++, it was installed without any problem.
I have one more question about pmemd. I may have to install pmemd
because there is no pmemd in /amber8/exe/ directory. I wonder if I need
to go to amber8/src/pmemd/ directory and then use ./configure and make
install. If so, which options (-**) do I need to use with configure?
Could you advise me right way to install pmemd?
Thanks,

best,
Hwankyu.

On Oct 19, 2004, at 7:27 PM, David A. Case wrote:

> On Tue, Oct 19, 2004, Hwankyu Lee wrote:
>
>> When I typed "make install" in /src/antechamber/, I got an error like
>> below.
>>
>> ----------------
>> icc bondtype.o -lm -o bondtype
>> bondtype.o(.text+0x7648): In function
>> `process_penalties(std::vector<Point, std:
>
> ....
>
> It looks(?) like you have modified the standard config.h file, since
> we specify
> using gcc not icc as the C/C++ compiler. I would first recommend
> trying the
> standard route.
>
> The problem is likely that bondtype.C is a C++ program, not a
> C-program, and
> there is probably some additional flag necessary to link such a code.
> Maybe
> some icc expert can help out here.
>
> ...dac
>
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