AMBER Archive (2005)

Subject: Re: AMBER: Resp install problem, again

From: David A. Case (case_at_scripps.edu)
Date: Thu Nov 10 2005 - 11:39:49 CST


On Thu, Nov 10, 2005, Jianzhong Liu wrote:
>
> I think last time the error message maybe not enough for all of you
> understant what our problems are. Here are all error message.
>
> ../Compile L1 -P resp.f
> cat resp.f |
> /lib/cpp -traditional -I/root/plep/src/lib -P -Dlinux -DISTAR2
> -DHAS_FTN_ERFC > _resp_.f
> g77 -c -O -march=x86-64 -ffast-math -fomit-frame-pointer -fno-globals -ff90
> -funix-intrinsics-hide _resp_.f

(errors follow).

I really can't reproduce this at all. It looks like you made up your own
MACHINE file (is this correct)? Did you try using Machine.linux_g77?

I tried all kinds of options to g77 on both 32-bit and 64-bit machines, and
never saw any of the errors you describe. What does "g77 --version" tell
you? Do you have access to any other machine (esp. not x86_64) to try things
out on?

> _resp_.f: In subroutine `readin':
> _resp_.f:239: warning:
> call amopen(5,input,'O','F','R')
> 1
> _resp_.f:461: (continued):
> call amopen(3,qin,'O','F','R')
> 2
> Argument #2 of `amopen' is one type at (2) but is some other type at (1)
> [info -f g77 M GLOBALS]

This is hard to understand, since both "input" and "qin" are declared to
be character*80 variables. But my line numbers don't exactly match up with
yours, so somehow we are really looking at different codes. I just freshly
downloaded the code from the Amber web site (amber.scripps.edu). Did you make
any changes to anything? Is it possible that what you have is a different
version? The sources at CCL are really ancient, but as far as I can tell,
resp.f is not really any different than what is at the Amber web site, nor are
they fundamentally different than those in the current Amber tree. (Make sure
that the COMMON/ORIG/ line doesn't go past column 72, or if it does, that your
compiler allows it.

But basically, both g77 and a whole host of Fortran90/95 compilers routinely
compile this code with no complaints. Maybe you will need to post your
resp.f file so we can look for any diffs with the sources we have.

...dac

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